(5aS,10bR)-9-Bromo-2-(2,4,6-tribromophenyl)-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate,(5aS,10bR)-9-Nitro-2-(2,4,6-trichlorophenyl)-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium Suppliers & Manufacturers

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PRODUCT NAME

CAS Registry Number

(5aS,10bR)-9-Bromo-2-(2,4,6-tribromophenyl)-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate (2 suppliers)

IUPAC Name: 14-bromo-4-(2,4,6-tribromophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11(16),12,14-pentaene;trifluoroborane;fluoride | CAS Registry Number: 2005414-99-1
Synonyms: 4H,6H-Indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium, 9-bromo-5a,10b-dihydro-2-(2,4,6-tribromophenyl)-, (5aS,10bR)-, tetrafluoroborate(1-) (1:1)

Molecular Formula:	C₁₈H₁₂BBr₄F₄N₃O	Molecular Weight:	692.700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: YARSNMZOTFUGJV-UHFFFAOYSA-M

2005414-99-1

(5aS,10bR)-9-Nitro-2-(2,4,6-trichlorophenyl)-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium (1 supplier)

2761282-96-4

(5aS,10bR)-9-Nitro-2-(2,4,6-trichlorophenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate (1 supplier)

2761282-97-5

(5as,12r,14as)-12-(2-hydroxy-2-methylpropyl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione (0 suppliers)

Molecular Formula:	C₂₁H₂₅N₃O₃	Molecular Weight:	367.441500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RFFYLCRCNILFBP-UHFFFAOYSA-N

106292-67-5

(5as,12r,14as)-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione (1 supplier)

Synonyms: AC1L4F9Z, Demethoxy-3-epifumitremorgin C, CTK4A4471, KST-1A0749, AR-1A6259, AG-K-18868, 5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-12-(2-methyl-1-propenyl)-, (5aS-(5aalpha,12alpha,14aalpha))-

Molecular Formula:	C₂₁H₂₃N₃O₂	Molecular Weight:	349.426220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LQXCSIKDOISJTI-KSZLIROESA-N

106292-68-6

(5as,12r,14as)-12-(2-methylprop-2-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5h,14h-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione (1 supplier)

Synonyms: AC1L4FA2, CTK4A4472, KST-1A0750, AR-1A6260, AG-K-18869, 5H,14H-Pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-12-(2-methyl-2-propenyl)-, (5aS-(5aalpha,12alpha,14aalpha))-

Molecular Formula:	C₂₁H₂₃N₃O₂	Molecular Weight:	349.426220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XDLPIIQRKKHLET-KSZLIROESA-N

106292-69-7

(5aS,5a''S,6aR,6a''R)-2',2',2''',2'''-Tetraphenyl-2,2''-bispiro[cyclopropa[4,5]cyclopenta[1,2-b]pyridine-6,5'-[1,3]dioxane] (3 suppliers)

2764676-48-2

(5AS,5BS)-5A,7A-DIMETHYLOCTADECAHYDROCYCLOPENTA[5,6]NAPHTHO[1,2-D]AZEPIN-9-OL (3 suppliers)

IUPAC Name: 4,5-dimethyl-2-(trichloromethyl)-1,3-dioxolane | CAS Registry Number: 25630-47-1
Synonyms: 4,5-Dimethyl-2-(trichloromethyl)-1,3-dioxolane, 1, 4,5-dimethyl-2-(trichloromethyl)-, NSC30180, AC1Q3GTC, AC1L5O5F, CTK4F6138, NSC58650, AR-1F8420, NSC-30180, NSC-58650, AG-K-74575, NSC 30180;NSC 58650, 1,3-Dioxolane,4,5-dimethyl-2-(trichloromethyl)-, 1,3-Dioxolane, 4,5-dimethyl-2-(trichloromethyl)-

Molecular Formula:	C₆H₉Cl₃O₂	Molecular Weight:	219.493460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XPVRYPSUEFTEKE-UHFFFAOYSA-N

25630-47-1

(5AS,5BS,7AR,10AS,10BS,12AR)-5A,7A-DIMETHYLHEXADECAHYDRO-2,5-EPOXYCYCLOPENTA[5,6]NAPHTHO[1,2-D]AZEPIN-9(1H)-ONE (7 suppliers)

IUPAC Name: N-(2-pyridin-2-ylethyl)benzamide | CAS Registry Number: 4976-05-0
Synonyms: n-[2-(pyridin-2-yl)ethyl]benzamide, N-[2-(2-Pyridinyl)ethyl]benzamide, T6840320, NSC9321, AC1L5BZV, SureCN483578, AC1Q5P6S, N-(2-pyridin-2-ylethyl)benzamide, NSC-9321, AR-1K3759, AKOS008932363, Benzamide, N-[2-(2-pyridyl)ethyl]-, MCULE-5428187367

Molecular Formula:	C₁₄H₁₄N₂O	Molecular Weight:	226.273760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: POIFKAIWAMHITC-UHFFFAOYSA-N

4976-05-0

(5AS,5BS,7AS,8S,10AS,10BR,12AS)-5A,7A-DIMETHYL-2-OXOHEXADECAHYDRO-2H-CYCLOPENTA[5,6]NAPHTHO[1,2-D]OXEPIN-8-YL ACETATE (2 suppliers)

Synonyms: (5as,5bs,7as,8s,10as,10br,12as)-5a,7a-dimethyl-2-oxohexadecahydro-2h-cyclopenta[5,6]naphtho[1,2-d]oxepin-8-yl acetate, 76043-47-5, NSC79607, AC1L5R72, CTK5E2406, KST-1A8149, AR-1A6264, NSC-79607, AG-K-21743

Molecular Formula:	C₂₁H₃₂O₄	Molecular Weight:	348.476380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: KYLAWUZKSAORIX-HGDYXINXSA-N

76895-63-1

(5aS,6aR)-2-((5aS,6aR)-2',2'-Dimethyl-5a,6a-dihydro-5H-spiro[cyclopropa[4,5]cyclopenta[1,2-b]pyridine-6,5'-[1,3]dioxan]-2-yl)-2',2'-dimethyl-5a,6a-dihydro-5H-spiro[cyclopropa[4,5]cyclopenta[1,2-b]pyridine-6,5'-[1,3]dioxane] (3 suppliers)

2761045-11-6

(5aS,6R,6aR)-MK-8666 (1 supplier)

1544739-76-5

(5AS,6R,9S,9AR)-5A,6,7,8,9,9A-HEXAHYDRO-6,11,11-TRIMETHYL-2-(2,3,4,5,6-PENTAFLUOROPHENYL)-6,9-METHANO-4H-[1,2,4]TRIAZOLO[3,4-C][1,4]BENZOXAZINIUM TETRAFLUOROBORATE (7 suppliers)

Synonyms: MFCD28144540, AKOS030529634, (5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-trimethyl-2-(2,3,4,5,6-pentafluorophenyl)-6,9-methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazinium tetrafluoroborate

Molecular Formula:	C₁₉H₁₉BF₉N₃O	Molecular Weight:	487.177 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: FOWXCRMGQRPQBL-AOIQSHHISA-N

1037287-81-2

(5AS,6R,9S,9AR)-5A,6,7,8,9,9A-HEXAHYDRO-6,11,11-TRIMETHYL-2-(2,4,6-TRIMETHYLPHENYL)-6,9-METHANO-4H-[1,2,4]TRIAZOLO[3,4-C][1,4]BENZOXAZINIUM TETRAFLUOROBORATE (7 suppliers)

Synonyms: MFCD28144541, (5aS,6R,9S,9aR)-5a,6,7,8,9,9a-Hexahydro-6,11,11-trimethyl-2-(2,4,6-trimethylphenyl)-6,9-methano-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazinium tetrafluoroborate

Molecular Formula:	C₂₂H₃₀BF₄N₃O	Molecular Weight:	439.306 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: IRHYLAAAFXJVMC-CMOVJTRRSA-N

1037287-79-8

(5as,6s)-1,6,10,11-tetrahydroxy-6-methyl-3,12-dioxo-5,5a-dihydro-4h-tetracene-2-carboxamide (1 supplier)

IUPAC Name: (5aS,6S)-1,6,10,11-tetrahydroxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide | CAS Registry Number: 52749-95-8
Synonyms: 4,12-Anhydrodedimethylaminotetracycline, 2-Naphthacenecarboxamide, 1,4,5,5a,6,11-hexahydro-1,11-dioxo-6-methyl-3,6,10,12-tetrahydroxy-, (5aS-trans)-, AC1NX6N6, LS-93898, (2Z,5aS,6S)-2-[amino(hydroxy)methylidene]-6,10,11-trihydroxy-6-methyl-5,5a-dihydro-4H-tetracene-1,3,12-trione

Molecular Formula:	C₂₀H₁₇NO₇	Molecular Weight:	383.351480 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: SUAUUCDVFGPBLT-GWNMQOMSSA-N

52749-95-8

(5AS,6S,9R,9AR)-6-METHYL-3-PENTYL-9-(PROP-1-EN-2-YL)-5A,6,7,8,9,9A-HEXAHYDRODIBENZO[B,D]FURAN-1,6-DIOL (0 suppliers)

IUPAC Name: (5aS,6S,9R,9aR)-6-methyl-3-pentyl-9-prop-1-en-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1,6-diol | CAS Registry Number: 6128-19-4
Synonyms: Cannabielsoin, Cannabielsoin A, (5as,6s,9r,9ar)-6-methyl-3-pentyl-9-(prop-1-en-2-yl)-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-1,6-diol, 52025-76-0, 61290-30-0, AC1L4QPR, CTK4J9282, KST-1A6513, KST-1A6514, AR-1A6268, AR-1A6269, AG-K-21270, C20218, (5aS,6S,9R,9aR)-6-methyl-3-pentyl-9-prop-1-en-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-1,6-diol, 1,6-Dibenzofurandiol, 5a,6,7,8,9,9a-hexahydro-6-methyl-9-(1-methylethenyl)-3-pentyl-, (5aS-(5aalpha,6alpha,9alpha,9aalpha))-

Molecular Formula:	C₂₁H₃₀O₃	Molecular Weight:	330.461100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RBEAVAMWZAJWOI-MTOHEIAKSA-N

6128-19-4

(5AS,7S)-7-ISOALLYL-3-METHYL-6,7,8,9-TETRAHYDRO-5AH-PYRANO[4,3-B]CHROMEN-1-ONE (8 suppliers)

IUPAC Name: (5aS,7S)-3-methyl-7-prop-1-en-2-yl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one | CAS Registry Number: 194937-75-2
Synonyms: AmbtgI60022, MolPort-000-004-452, ZINC26897558, CID10539141, CID 10539141, I60022, (5aS,7S)-7-Isopropenyl-3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one

Molecular Formula:	C₁₆H₁₈O₃	Molecular Weight:	258.312320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GRYISIULMJKOLF-FZMZJTMJSA-N

194937-75-2

(5as,8as)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine (2 suppliers)

IUPAC Name: (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine | CAS Registry Number: 81795-59-7
Synonyms: NSC361872, AC1L7OA3, NSC-361872, (5aS,8aS)-5-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine

Molecular Formula:	C₁₁H₂₁NO₂	Molecular Weight:	199.289940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YYHBBFDCCJAAOI-QWRGUYRKSA-N

81795-59-7

(5aS,8aS)-tert-Butyl 3-iodo-5a,6,8,8a-tetrahydropyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine-7(4H)-carboxylate (2 suppliers)

2641076-07-3

(5AS,8aS,13bS)-5a,6,7,8,8a,9-hexahydro-5H-indeno[2,1-d]fluorene-1,13-diol (1 supplier)

2080354-90-9

(5aS,8aS,13bS)-5a,6,7,8,8a,9-Hexahydro-5H-indeno[2,1-d]fluorene-1,13-diolhemi-triethylamine salt (3 suppliers)

2241655-59-2

(5as,8as,9r)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl hexopyranoside (5 suppliers)

IUPAC Name: (5aR,8aR,9R)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one | CAS Registry Number: 11024-59-2
Synonyms: UNII-1673AQJ022, 1673AQJ022, NSC-163025, AC1O3DT1, beta-Peltatin-beta-D-glucoside, CHEMBL401601, beta-Peltatin-beta-D-glucoside [MI], beta-Peltatin-o-beta-D-glucopyranoside, beta-Peltatin-beta-D-glucoside, (-)-, (-)-beta-Peltatin-5-o-beta-D-glucopyranoside, (5aR,8aR,9R)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 10-(beta-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-

Molecular Formula:	C₂₈H₃₂O₁₃	Molecular Weight:	576.545880 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	13

InChIKey: PAIASCMUTMHGHU-WELBBKRVSA-N

11024-59-2

(5AS,8S)-Octahydro-pyrrolo[1,2-b][1,2]thiazepine-8-carboxylic acid 1,1-dioxide (4 suppliers)

IUPAC Name: (5aS,8S)-1,1-dioxo-2,3,4,5,5a,6,7,8-octahydropyrrolo[1,2-b]thiazepine-8-carboxylic acid | CAS Registry Number: 1316754-64-9
Synonyms: (5aS,8S)-Octahydro-pyrrolo[1,2-b][1,2]thiazepine-8-carboxylic acid 1,1-dioxide, MolPort-035-942-787, ZINC95743342, AKOS025405353, PB38229, AK184828, Q-4935, (3S,8aS)-3-Carboxy-octahydro-4-thia-3a-azaazulene 4,4-dioxide, (5AS,8S)-1,1-DIOXO-OCTAHYDRO-1??-PYRROLO[1,2-B][1,2]THIAZEPINE-8-CARBOXYLIC ACID

Molecular Formula:	C₉H₁₅NO₄S	Molecular Weight:	233.282 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: QMGGDDYSPVNMOC-YUMQZZPRSA-N

1316754-64-9

(5AS,9AR)-1-(6-ETHOXYPYRIDIN-2-YL)-4,5,5A,6,7,8,9,9A-OCTAHYDRO-[1,2,4]TRIAZOLO[4,3-A][1,6]NAPHTHYRIDINE (2 suppliers)

IUPAC Name: (5aS,9aR)-1-(6-ethoxypyridin-2-yl)-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine | CAS Registry Number: 2072820-60-9

Molecular Formula:	C₁₆H₂₁N₅O	Molecular Weight:	299.370 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BHEPDLWUCSGCMR-WCQYABFASA-N

2072820-60-9

(5AS,9AR)-1-(PYRIDIN-2-YL)-4,5,5A,6,7,8,9,9A-OCTAHYDRO-[1,2,4]TRIAZOLO[4,3-A][1,6]NAPHTHYRIDINE (2 suppliers)

IUPAC Name: (5aS,9aR)-1-pyridin-2-yl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine | CAS Registry Number: 2072820-61-0

Molecular Formula:	C₁₄H₁₇N₅	Molecular Weight:	255.320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ADMAKIUWASRCJK-CMPLNLGQSA-N

2072820-61-0

(5AS,9aR)-1-(Trifluoromethyl)-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine (1 supplier)

2072820-49-4

(5AS,9AR)-1-BENZYL-4,5,5A,6,7,8,9,9A-OCTAHYDRO-[1,2,4]TRIAZOLO[4,3-A][1,6]NAPHTHYRIDINE (2 suppliers)

IUPAC Name: (5aS,9aR)-1-benzyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine | CAS Registry Number: 2072820-59-6

Molecular Formula:	C₁₆H₂₀N₄	Molecular Weight:	268.360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JSFIOCVVQMZQBW-UONOGXRCSA-N

2072820-59-6

(5AS,9AR)-1-ISOPROPYL-4,5,5A,6,7,8,9,9A-OCTAHYDRO-[1,2,4]TRIAZOLO[4,3-A][1,6]NAPHTHYRIDINE (3 suppliers)

IUPAC Name: (5aS,9aR)-1-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine | CAS Registry Number: 2072820-58-5

Molecular Formula:	C₁₂H₂₀N₄	Molecular Weight:	220.310 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: TYLUGBAGQWBMLO-VHSXEESVSA-N

2072820-58-5

(5AS,9AR)-1-METHYL-4,5,5A,6,7,8,9,9A-OCTAHYDRO-[1,2,4]TRIAZOLO[4,3-A][1,6]NAPHTHYRIDINE (3 suppliers)

IUPAC Name: (5aS,9aR)-1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine | CAS Registry Number: 2072820-57-4

Molecular Formula:	C₁₀H₁₆N₄	Molecular Weight:	192.260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LHKARNDNCUJTIN-DTWKUNHWSA-N

2072820-57-4

(5aS,9aR,10aS,11aR)-4,5,5a,10a,11,11a-Hexahydro-5a-methyl-8-(1-methylethyl)-1H-oxireno[8a,9]phenanthro[1,2-c]furan-3,9-dione (1 supplier)

225787-03-1

(5as,9as,9bs)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one (1 supplier)

IUPAC Name: (5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one | CAS Registry Number: 111319-85-8
Synonyms: AC1L4CJQ, (5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one

Molecular Formula:	C₁₅H₂₂O₃	Molecular Weight:	250.333380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OWEYHFSUROKINF-TUKIKUTGSA-N

111319-85-8

(5as,9s,9as)-6-isopropyl-1-oxo-1,5a,6,7,8,9a-hexahydro-3h-spiro[2 -benzoxepine-9,2'-oxirane]-4-carboxylic Acid (1 supplier)

IUPAC Name: (5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid | CAS Registry Number: 84502-40-9
Synonyms: Avocettin, Heptelidic acid, Koningic acid, BRN 5091359, Spiro(2-benzoxepin-9(3H),2'-oxirane)-4-carboxylic acid, 1,5a,6,7,8,9a-hexahydro-6-(1-methylethyl)-1-oxo-, Spiro(1H-2-benzoxepin-9,2'-oxirane)-4-carboxylic acid, 3,5a,6,7,8,9a-hexahydro-6-isopropyl-1-oxo-, AC1L3YBM, (5as,9s,9as)-1-oxo-6-(propan-2-yl)-1,5a,6,7,8,9a-hexahydro-3h-spiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid, SCHEMBL15726843, CTK8E0446, LS-145947, (5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid

Molecular Formula:	C₁₅H₂₀O₅	Molecular Weight:	280.320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: JESMSCGUTIEROV-NOFREYILSA-N

84502-40-9

(5B)-1,3,12-TRIHYDROXY-CHOLAN-24-OIC ACID (1 supplier)

63266-91-1

(5B,12B)- 12-HYDROXYCHOLAN-24-OIC ACID (4 suppliers)

IUPAC Name: (4R)-4-[(5S,8R,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid | CAS Registry Number: 15173-23-6
Synonyms: 12beta-Hydroxy-5beta-cholan-24-oic Acid, 12b-Hydroxy-5b-cholanoic acid, 12b-Hydroxy-5b-cholanoate, 12b-Hydroxy-5b-cholanic acid, AC1NR336, 12beta-Hydroxy-5beta-cholanoate, 12b-hydroxy-5b-Cholan-24-oate, 12beta-Hydroxy-5beta-cholanoic acid, LMST04010016, 12b-hydroxy-5b-Cholan-24-oic acid, 12-hydroxy-(5b,12b)-Cholan-24-oate, 12-hydroxy-(5b,12b)-Cholan-24-oic acid, (4R)-4-[(5S,8R,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Molecular Formula:	C₂₄H₄₀O₃	Molecular Weight:	376.581 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OBUOWZOYJNAMCZ-ORVKXXEISA-N

15173-23-6

(5BETA)-12,BETA,14-DIHYDROXY-3-OXOCARD-20(22)-ENOLIDE (4 suppliers)

IUPAC Name: 3-[(5R,10S,12R,13S,14S,17S)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one | CAS Registry Number: 4442-17-5
Synonyms: CTK1D6136, AG-F-55975, 4-[(5R,10S,12R,13S,14S,17S)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one

Molecular Formula:	C₂₃H₃₂O₅	Molecular Weight:	388.497180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: POWMMMXVDBMFMP-IUQWPNKASA-N

4442-17-5

(5BETA)-14-HYDROXY-3-OXOCARD-20(22)-ENOLIDE (5 suppliers)

IUPAC Name: 3-[(5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one | CAS Registry Number: 1102-88-1
Synonyms: Digitoxigenon, Digitoxigenone, 3-Digitoxigenone, 3-Oxodigitoxigenin, 3-Ketodigitoxigenin, 3-Dehydrodigitoxigenin, EINECS 214-159-0, CID14197, ZINC04063410, LS-52479, (5beta)-14-Hydroxy-3-oxocard-20(22)-enolide, 14-Hydroxy-3-oxo-5-beta-card-20(22)-enolide, Card-20(22)-enolide, 14-hydroxy-3-oxo-, (5-beta)-, 5-beta-CARD-20(22)-ENOLIDE, 14-HYDROXY-3-OXO-

Molecular Formula:	C₂₃H₃₂O₄	Molecular Weight:	372.497780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: REJBTXQSIQFRRE-AVYQLUFWSA-N

1102-88-1

(5BETA)-3BETA,12BETA,14-TRIHYDROXYCARDANOLIDE (2 suppliers)

IUPAC Name: (4R)-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one | CAS Registry Number: 4442-12-0
Synonyms: Dihydrodigoxigenin, 20,22-Dihydrodigoxigenin, CHEBI:71004, (5beta)-3beta,12beta,14-Trihydroxycardanolide, EINECS 224-666-9, Cardanolide, 3,12,14-trihydroxy-, (3-beta,5-beta,12-beta)-, 5-beta-Cardanolide, 3-beta,12-beta,14-trihydroxy- (6CI,7CI,8CI), AC1L3RWW, CHEMBL418844, CTK4I8186, AG-F-55974, LS-52289, 3beta,12beta,14-trihydroxy-5beta-cardanolide, (4R)-4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one

Molecular Formula:	C₂₃H₃₆O₅	Molecular Weight:	392.528940 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: MWPLZPAHTHIKQB-YNFYBLEISA-N

4442-12-0

(5BETA)-3BETA,14-DIHYDROXYCARDANOLIDE (5 suppliers)

IUPAC Name: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one | CAS Registry Number: 4427-85-4
Synonyms: Dihydrodigitoxigenin, 20,22-Dihydrodigitoxigenin, EINECS 224-612-4, (5beta)-3beta,14-Dihydroxycardanolide, CID107549, LS-52288, Cardanolide, 3,14-dihydroxy-, (3-beta,5-beta)-, 5-beta-Cardanolide, 3-beta,14-dihydroxy- (6CI,7CI,8CI)

Molecular Formula:	C₂₃H₃₆O₄	Molecular Weight:	376.529540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CIQHGVTXALCNSM-ROIXOECXSA-N

4427-85-4

(5BETA)-3BETA-[(6-DEOXY-SS-D-GLUCOPYRANOSYL)OXY]-14-HYDROXYCARD-20(22)-ENOLIDE (5 suppliers)

IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one | CAS Registry Number: 40950-57-0
Synonyms: Evomonoside, EINECS 255-156-4, CID6451668, (5beta)-3beta-((6-Deoxy-beta-D-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide

Molecular Formula:	C₂₉H₄₄O₈	Molecular Weight:	520.654860 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: WQMLFJWIKARBFW-DHJPIHCVSA-N

40950-57-0

(5beta,17beta)-17-Methyl-spiro[androstane-3,3'-[3H]diazirin]-17-ol (1 supplier)

2435-90-7

(5beta,7alpha,12alpha)-7,12-Bis(acetyloxy)-3-oxocholan-24-oic acid (7 suppliers)

IUPAC Name: (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-diacetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid | CAS Registry Number: 300386-87-2
Synonyms: AKOS016011698, AK123591, 3-Oxo-7a,12a-diformyloxy-5b-cholanic acid

Molecular Formula:	C₂₈H₄₂O₇	Molecular Weight:	490.628880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: FLCQKKOYDHTRKE-QXOKQOCVSA-N

300386-87-2

(5beta,7alpha,12alpha)-7,12-Dihydroxychol-2-en-24-oic acid methyl ester (7 suppliers)

IUPAC Name: methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate | CAS Registry Number: 77731-10-3
Synonyms: Methyl 7a,12a-dihydroxy-5b-chol-2-enoate, AKOS016011739, AK123593, KB-257787

Molecular Formula:	C₂₅H₄₀O₄	Molecular Weight:	404.582700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WORLYKPLNOTUAH-KGFCUSQPSA-N

77731-10-3

(5beta,7alpha,12alpha)-7,12-Dihydroxychol-3-en-24-oic acid methyl ester (6 suppliers)

IUPAC Name: methyl (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate | CAS Registry Number: 77731-11-4
Synonyms: Methyl 7a,12a-dihydroxy-5b-chol-3-enoate, AKOS016011719, AK123592, KB-257788

Molecular Formula:	C₂₅H₄₀O₄	Molecular Weight:	404.582700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: UYNYCDBHORSDKX-KGFCUSQPSA-N

77731-11-4

(5beta,8beta,9beta,10alpha,11alpha,12beta)-11-Hydroxyatis-16-ene-3,14-dione (7 suppliers)

Synonyms: ent-11beta-Hydroxyatis-16-ene-3,14-dione

Molecular Formula:	C₂₀H₂₈O₃	Molecular Weight:	316.441 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ONJRISGOJDDBNB-CQYDFLNQSA-N

1092103-22-4

(5BR,6S,12BS,5B'R,6'S,12B'S,5B''R,6''S,12B''S)-13,13',13''-[PHOSPHOROTHIOYLTRIS(IMINOETHANE-2,1-DIYL)]TRIS(6-HYDROXY-13-METHYL-5B,6,7,12B,13,14-HEXAHYDRO[1,3]BENZODIOXOLO[5,6-C][1,3]DIOXOLO[4,5-I]PHENANTHRIDIN-13-IUM) TRIHYDROXIDE (2 suppliers)

IUPAC Name: dibromomethylsulfonylbenzene | CAS Registry Number: 16003-66-0
Synonyms: [(dibromomethyl)sulfonyl]benzene, 16056-77-2, NSC122527, AC1Q6ULW, dibromomethylsulfonylbenzene, AC1L5I0H, SureCN9849677, CTK4D0304, KST-1A1827, Benzene,[(dibromomethyl)sulfonyl]-, AR-1A8494, AG-K-79287, NSC-122527, Sulfone,dibromomethyl phenyl (8CI); Dibromomethyl phenyl sulfone; NSC 122527; Phenyldibromomethyl sulfone

Molecular Formula:	C₇H₆Br₂O₂S	Molecular Weight:	313.994340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RLOBRCXIAWJACX-UHFFFAOYSA-N

16003-66-0

(5E)-1,1,1-Trifluoro-6-(4-methoxyphenyl)hex-5-ene-2,4-dione (0 suppliers)

(5E)-1,1,1-Trifluoro-6-thien-2-ylhex-5-ene-2,4-dione (0 suppliers)

(5E)-1,2,3,4,10,11-Hexahydro-5H-spiro[benzo[c]-pyrano[3,2-g]chromene-9,1-cyclohexan]-5-one oxime (0 suppliers)

(5E)-1,2,3,4,10,11-HExahydro-5h-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one oxime (3 suppliers)

IUPAC Name: (~{N}~{E})-~{N}-spiro[1,2,3,4,10,11-hexahydroisochromeno[4,3-g]chromene-9,1'-cyclohexane]-5-ylidenehydroxylamine | CAS Registry Number: 1014104-43-8
Synonyms: (5E)-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one oxime, MolPort-003-757-798, (5E)-1,2,3,4,10,11-Hexahydro-5H-spiro[benzo[c]-pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one oxime, ALBB-015936, ZX-AN014643, STL226186, AKOS005175285, ZINC137517067, F1902-0077, (5E)-N-hydroxy-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-imine, (E)-5H-1,2,3,4,10,11-hexahydro-5H-spiro[benzo[c]pyrano[3,2-g]chromene-9,1'-cyclohexan]-5-one oxime, N-{3',4',6',7',8',9'-hexahydro-1',11'-dioxaspiro[cyclohexane-1,2'-tetraphene]-10'-ylidene}hydroxylamine

Molecular Formula:	C₂₁H₂₅NO₃	Molecular Weight:	339.435 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MTPNKJNLYOJGGR-LSDHQDQOSA-N

1014104-43-8

(5E)-1,3-BIS-O-(TERT-BUTYLDIMETHYLSILYL)-24-OXO-CALCIPOTRIENE-D4 (1 supplier)

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