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CHEMICAL products beginning with : A
33651 to 33700 of 54262 results  Page: << Previous 50 Results 660 661 662 663 664 665 666 667 668 669 670 671 672 673 [674] 675 676 677 678 679 680 >> Next 50 Results
 PRODUCT NAMECAS Registry Number 
AJMALAN-17-ONE,19,20-DIDEHYDRO-11- METHOXY-,(19E)- (6 suppliers)70522-05-3
AJMALAN-17-ONE,19,20-DIDEHYDRO-12- METHOXY-,(19E)- (4 suppliers)
Compound Structure Synonyms: Purpeline

Molecular Formula: C21H24N2O2Molecular Weight: 336.435 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WCCNKCFWOIBUOQ-WIQUFBGXSA-N

2246-33-5
Ajmalan-17-one,21-hydroxy-12-methoxy-, (21a)- (9CI) (3 suppliers)
Compound Structure Synonyms: Vomalidine

Molecular Formula: C21H26N2O3Molecular Weight: 354.450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WTWLJQPPCVQKET-MINAYRQUSA-N

639-28-1
Ajmalanium, 10-bromo-17,21-dihydroxy-4-propyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1) (7 suppliers)
Compound Structure Synonyms: N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate, LS-15662

Molecular Formula: C27H37BrN2O8Molecular Weight: 597.495280 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: XXHHFLWSPHLXOA-UYIZLBHISA-M

79731-87-6
Ajmalanium, 4,4'-[[(3b,5b,14b,16b)-21,23-epoxy-14-hydroxy-23-oxo-24-norchol-20(22)-ene-3,16-diyl]bis[oxy(2-oxo-2,1-ethanediyl)]]bis[17,21-dihydroxy-,dibromide, (17R,21a)-(17'R,21'a)-(9CI) (4 suppliers)
Compound Structure Synonyms: Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether, Ajmalanium, 4,4'-((3-beta,5-beta,14-beta,16-beta)-21,23-epoxy-14-hydroxy-23-oxo-24-norchol-20(22)-ene-3,16-diyl)bis(oxy(2-oxo-2,1-ethanediyl))bis(17,21-dihydroxy-, dibromide, (17R,21-alpha)-(17'R,21'-alpha)-, AC1MIF4P, LS-15649

Molecular Formula: C67H88Br2N4O11Molecular Weight: 1285.243820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 15

InChIKey: BNHLNJNZDDKXHW-UHFFFAOYSA-L

83036-86-6
Ajmalanium, 4-[2-[[(3b,5b,14b)-21,23-epoxy-5,14-dihydroxy-19,23-dioxo-24-norchol-20(22)-en-3-yl]oxy]-2-oxoethyl]-17,21-dihydroxy-,chloride, (17R,21a)-(9CI) (2 suppliers)
Compound Structure Synonyms: Strophanthidin-3-beta-O-acetyl-2'-N(b)ajmaline chloride, Ajmalanium, 4-(2-(((3-beta,5-beta,14-beta)-21,23-epoxy-5,14-dihydroxy-19,23-dioxo-24-norchol-20(22)-en-3-yl)oxy)-2-oxoethyl)-17,21-dihydroxy-, chloride, (17R,21-alpha)-

Molecular Formula: C45H59ClN2O9Molecular Weight: 807.410960 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: GNCRVKVUSMQDMY-MKAQZLFJSA-M

83059-99-8
AJMALANIUM,10-BROMO-17,21-DIHYDROXY-4-HEXYL-,(17R,21-A)-,SALT WITH (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOIC ACID (1:1) (3 suppliers)
Compound Structure Synonyms: N(sub b)-n-Hexyl-10-bromosandwicinium hydrogen tartrate, Ajmalanium, 10-bromo-17,21-dihydroxy-4-hexyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1), LS-15659

Molecular Formula: C26H38BrN2O2+Molecular Weight: 490.496120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MISUFRGPLRUQEE-USBSQPODSA-N

79731-93-4
AJMALANIUM,17,21-DIHYDROXY-4-(2-HYDROXY-3-METHOXYPROPYL)-,(17R,21-A)- (4 suppliers)
Compound Structure Synonyms: BRN 4033226, (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-methoxypropyl)ajmalanium, Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-methoxypropyl)-, (17R,21-alpha)-

Molecular Formula: C24H35N2O4+Molecular Weight: 415.545700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: WEHCRDKJZFTXBS-LZSHPBGSSA-N

58892-89-0
AJMALANIUM,17,21-DIHYDROXY-4-(2-HYDROXY-3-PROPOXYPROPYL)-,(17R,21-A)- (4 suppliers)
Compound Structure Synonyms: BRN 4037614, (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-propoxypropyl)ajmalanium, Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-propoxypropyl)-, (17R,21-alpha)-

Molecular Formula: C26H39N2O4+Molecular Weight: 443.598860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: NBVOTHSQFXPNLY-MGKSFGKBSA-N

58892-91-4
AJMALANIUM,17,21-DIHYDROXY-4-(2-HYDROXY-3-PYRROLIDIN-1-YLPROPYL)-,(17R,21-A)- (5 suppliers)
Compound Structure Synonyms: BRN 4043544, LS-15673, (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-pyrrolidinopropyl)ajmalanium, Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-pyrrolidinopropyl)-, (17R,21-alpha)-

Molecular Formula: C27H40N3O3+Molecular Weight: 454.624800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: BSINHRRJSUOBJB-QBDIDOSNSA-N

47719-73-3
AJMALANIUM,17,21-DIHYDROXY-4-(3-ETHOXY-2-HYDROXYPROPYL)-,(17R,21-A)- (4 suppliers)
Compound Structure Synonyms: BRN 4164788, (17R,21-alpha)-17,21-Dihydroxy-4-(3-ethoxy-2-hydroxypropyl)ajmalanium, Ajmalanium, 17,21-dihydroxy-4-(3-ethoxy-2-hydroxypropyl)-, (17R,21-alpha)-

Molecular Formula: C25H37N2O4+Molecular Weight: 429.572280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: WSGGXOYZBAZKQO-SQRYPUJASA-N

58892-90-3
Ajmalanium,17,21-dihydroxy-4-(phenylmethyl)-, chloride, (17R,21a)- (9CI) (2 suppliers)
Compound Structure Synonyms: N4-Benzylajmalinium chloride, Ajmalinium, N(sup 4)-benzyl-, chloride, (4-alpha,17R,21-alpha)-17,21-Dihydroxy-4-(phenylmethyl)ajmalanium chloride, Ajmalanium, 17,21-dihydroxy-4-(phenylmethyl)-, chloride, (4-alpha,17R,21-alpha)-, LS-15674

Molecular Formula: C27H33ClN2O2Molecular Weight: 453.016120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JHCLKYKERNMDFQ-QAZNGJMHSA-M

168610-89-7
Ajmalicine (41 suppliers)
Compound Structure Synonyms: Yohimbine, Yohimbin, Quebrachin, Quebrachine, Corynine, Aphrosol, corynanthine, Rauwolscine, APHRODINE, Johimbin, Yohimex, Yocon, (+)-Yohimbine, Yohimbic acid methyl ester, (+)-Yohimbin, Corynanthine tartrate, nchembio705-2, Prestwick0_000584, Prestwick1_000584, Prestwick2_000584

Molecular Formula: C21H26N2O3Molecular Weight: 354.442740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BLGXFZZNTVWLAY-SCYLSFHTSA-N

146-48-5
AJMALICINE HCL (10 suppliers)
Compound Structure Synonyms: Ajmalicine, Prestwick_8, Ajmalicine hydrochloride, Ajmalicine, hydrochloride, gamma-Yohimbin hydrochloride, gamma-Yohimbine hydrochloride, RAUBASINE HYDROCHLORIDE, Ajmalicine, monohydrochloride, MLS002153894, C21H24N2O3.HCl, EINECS 224-471-9, MolPort-003-925-456, HMS1569H06, Ajmalicine, monohydrochloride (8CI), CID168978, ajmalicine, hydrochloride(19alpha)-isomer, LS-15652, SMR001233243, Methyl (19alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate hydrochloride, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, monohydrochloride

Molecular Formula: C21H25ClN2O3Molecular Weight: 388.887800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YWPZOTNKHMBWPD-QAWKRFFXSA-N

4373-34-6
Ajmalicine pseudoindoxyl (1 supplier)5802-00-6
AJMALIDINE (5 suppliers)
Compound Structure Synonyms: Ajmalidine

Molecular Formula: C20H24N2O2Molecular Weight: 324.424 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JLUFXYAXVHAFTF-DPZRFMGBSA-N

639-30-5
Ajmaline (27 suppliers)
Compound Structure Synonyms: ajmaline, Ajimalin, Ajimalin (TN), (+)-Ajmaline, Ajmaline (JP15), ajmalan-17alpha,21alpha-diol, CHEBI:28462, C06542, D00199

Molecular Formula: C20H26N2O2Molecular Weight: 326.432640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CJDRUOGAGYHKKD-HEFSZTOGSA-N

4360-12-7
AJMALINE DIACETATE (3 suppliers)19775-56-5
AJMALINE HCL (3 suppliers)
Compound Structure Synonyms: Ajmaline, hydrochloride, Chlorhydrate de raugalline, Chlorhydrate de raugalline [French], EINECS 224-562-3, Ajmalan-17(R),21alpha-diol hydrochloride, LS-15655, Ajmalan-17,20-diol, hydrochloride, (17R,21alpha)-

Molecular Formula: C20H27ClN2O2Molecular Weight: 362.893580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: FNCWZVOLGCRECX-MNGKQSICSA-N

4410-48-4
AJMALINE PHENYLBARBITURATE (5 suppliers)
Compound Structure Synonyms: AJ-Pbb, Ajmaline phenylbarbiturate, Ajmalan-17,21-diol, (17R,21alpha)-, mixt. with 5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Molecular Formula: C30H34N4O5Molecular Weight: 530.614760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: FQHDUMDHVKEPDU-MNGKQSICSA-N

81424-61-5
AJMALINIUM P-TOLUENESULFONATE (4 suppliers)
Compound Structure Synonyms: Ajmaline, p-toluenesulfonate, Ajmalinium p-toluenesulfonate, LS-15638, (17R,21-alpha)-Ajmalan-17,21-diol mono(4-methylbenzenesulfonate) (salt), Ajmalan, 17,21-dihydroxy-, 4-methylbenzenesulfonate, (17R,21-alpha)-, Ajmalan-17,21-diol, (17R,21-alpha)-, mono(4-methylbenzenesulfonate) (salt)

Molecular Formula: C27H34N2O5SMolecular Weight: 498.634260 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: SVWOYYMXXKRUHK-MNGKQSICSA-N

168700-00-3
AJOENE (9 suppliers)
Compound Structure IUPAC Name: (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene | CAS Registry Number: 92285-01-3
Synonyms: Ajoene, trans-Ajoene, Ajoene, trans-, (E)-Ajoene, NSC614554, 2C9H14OS3, CHEBI:302361, AIDS003903, NSC 614554, AIDS-003903, CID5386591, 4,5,9-Trithiadodeca-1,6,11-triene 9-oxide, LS-178167, C16758, Disulfide, 2-propenyl 3-(2-propenylsulfinyl)-1-propenyl, 2-Propenyl-3-(2-propenylsulfinyl)-1-propenyl disulfide, (E)-1-Allyldisulfanyl-3-(prop-2-ene-1-sulfinyl)-propene, 92284-99-6

Molecular Formula: C9H14OS3Molecular Weight: 234.401860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IXELFRRANAOWSF-FNORWQNLSA-N

92285-01-3
Ajowan Oil (19 suppliers)8001-99-8
AJOWAN SEED 60% OIL (3 suppliers)97676-13-6
Ajowan Seed Oleoresin (1 supplier)
AJOWAN,EXT (3 suppliers)91745-13-0
AJUGA BRACTEOSA,EXT (3 suppliers)93347-97-8
AJUGA CHAMAEPYTIS,EXT (3 suppliers)90320-24-4
AJUGA REPTANS,EXT (4 suppliers)90320-26-6
Ajuga Turkestanica Extract (2 suppliers)
AJUGACUMBIN C (6 suppliers)
Compound Structure IUPAC Name: [(1R,3S,4aR,5S,7R,8S,8aR)-1,3,5-triacetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl (E)-2-methylbut-2-enoate | CAS Registry Number: 124961-68-8
Synonyms: CID6442459, CID 6442459

Molecular Formula: C31H42O11Molecular Weight: 590.658580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: YFBKCESBPAGZCB-DMOSALLVSA-N

124961-68-8
AJUGACUMBIN E (5 suppliers)
Compound Structure IUPAC Name: [(1S,3S,4aR,5S,8S,8aR)-1,3,5-triacetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl 3-hydroxy-2-methylidenebutanoate | CAS Registry Number: 132922-43-1
Synonyms: CID179907, CID 179907

Molecular Formula: C31H42O12Molecular Weight: 606.657980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 12

InChIKey: PIIQPVTUGULYTD-SPWUECPUSA-N

132922-43-1
Ajugalide D (1 supplier)
Compound Structure IUPAC Name: methyl (4aR,5S,6R,8S,8aR)-8-hydroxy-5-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate | CAS Registry Number: 853247-65-1
Synonyms: MolPort-039-338-558

Molecular Formula: C21H32O6Molecular Weight: 380.481 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BDMPRXRGZXNSLR-KNRKMXSKSA-N

853247-65-1
AJUGAMACRIN D (3 suppliers)152511-39-2
AJUGAMACRIN E (3 suppliers)152511-40-5
Ajugamarin A 1 (3 suppliers)
Compound Structure IUPAC Name: [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate | CAS Registry Number: 78798-40-0
Synonyms: CHEBI:69878, Ajugamarin A1, AC1O5TW4, CHEMBL1813866, [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (2E)-

Molecular Formula: C29H40O10Molecular Weight: 548.621900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: HZPBAEMQRBYDPW-CJARLIFWSA-N

78798-40-0
AJUGAMARIN A 2 (5 suppliers)
Compound Structure IUPAC Name: [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate | CAS Registry Number: 122587-82-0
Synonyms: Ajugamarin A 2, CID6442443, CID 6442443, 2-Butenoic acid, 2-methyl-, 8-(acetyloxy)-5-(2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl)-8a-((acetyloxy)methyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (1R-(1alpha,4beta(E),4abeta,5beta(S*),6alpha,8alpha,8aalpha))-

Molecular Formula: C31H42O11Molecular Weight: 590.658580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: IAAHUGSOWYSQSN-XIFOBMOHSA-N

122587-82-0
AJUGAMARIN B 1 (6 suppliers)
Compound Structure IUPAC Name: [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate | CAS Registry Number: 121521-88-8
Synonyms: Ajugamarin B 1, CID180062

Molecular Formula: C29H42O10Molecular Weight: 550.637780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: BRIXIZXUQQCUIP-OFLICERBSA-N

121521-88-8
AJUGAMARIN B 3 (5 suppliers)
Compound Structure IUPAC Name: [(1R,4aR,5S,7R,8S,8aR)-4a-(acetyloxymethyl)-5-hydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate | CAS Registry Number: 121449-66-9
Synonyms: Ajugamarin B 3, CID180055, CID 180055, Butanoic acid, 2-methyl-, 8a-((acetyloxy)methyl)-5-(2-(2,5-dihydro-5-oxo-3-furanyl)-2-hydroxyethyl)octahydro-8-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (1R-(1alpha,4beta(S*),4abeta,5beta(S*),6alpha,8alpha,8aalpha))-

Molecular Formula: C27H40O9Molecular Weight: 508.601100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: CLJVKWUXMLHMNP-UUSPLHFDSA-N

121449-66-9
Ajugamarin chlorohydrin (1 supplier)
Compound Structure IUPAC Name: [(4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-4-(chloromethyl)-4-hydroxy-8-[(2R)-2-hydroxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] (E)-2-methylbut-2-enoate | CAS Registry Number: 85447-27-4

Molecular Formula: C29H41ClO10Molecular Weight: 585.087 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: CWWDVANTGWQWKM-QQFGKRSBSA-N

85447-27-4
AJUGAMARIN F 3 (5 suppliers)
Compound Structure IUPAC Name: [(1S)-2-[(1S,2R,4S,4aR,8aR)-4a-(acetyloxymethyl)-4-hydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate | CAS Registry Number: 123297-98-3
Synonyms: Ajugamarin F 3, CID180167, Butanoic acid, 2-methyl-, (1S)-2-((1R,4aR,5S,6R,8S,8aR)-8a-((acetyloxy)methyl)octahydro-8-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2S)-, Butanoic acid, 2-methyl-, 2-(8a-((acetyloxy)methyl)octahydro-8-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (1R-(1alpha,4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha))-

Molecular Formula: C27H40O8Molecular Weight: 492.601700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: DLWHBMFPGCORJS-XGYWGJSESA-N

123297-98-3
Ajuganipponin A (1 supplier)
Compound Structure IUPAC Name: [(1S)-2-[(1S,2R,4S,4aR,5R,8R,8aR)-4,8-diacetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (E)-2-methylbut-2-enoate | CAS Registry Number: 936323-13-6
Synonyms: CHEBI:69879, CHEMBL1813867, (1S)-2-{(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl (2E)-2-methylbut-2-enoate

Molecular Formula: C31H42O11Molecular Weight: 590.666 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: SJNMHXILDVKBPL-BEEMTZEWSA-N

936323-13-6
Ajugapantin A (1 supplier)
Compound Structure IUPAC Name: [(4R,4aR,5S,7R,8S,8aR)-1,5-diacetyloxy-8-[(2R)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate | CAS Registry Number: 121449-67-0

Molecular Formula: C28H38O11Molecular Weight: 550.601 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: KBIJVGBQDPMKKO-YSWDODBISA-N

121449-67-0
AJUGAPYRIN A (3 suppliers)202343-93-9
AJUGAREPTANSONE B (5 suppliers)
Compound Structure IUPAC Name: [(1S,2R,4S,4aR,5R,8aR)-4-acetyloxy-1,2-dimethyl-8-oxo-1-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4,8a-tetrahydronaphthalene-5,2'-oxirane]-4a-yl]methyl acetate | CAS Registry Number: 79495-91-3
Synonyms: Ajugareptansone B, CID157530, Spiro(naphthalene-1(4H),2'-oxiran)-4-one, 8-(acetyloxy)-8a-((acetyloxy)methyl)-5-(2-(2,5-dihydro-5-oxo-3-furanyl)ethyl)-4a,5,6,7,8,8a-hexahydro-5,6-dimethyl-, (1R,4aR,5S,6R,8S,8aR)-, Spiro(naphthalene-1(4H),2'-oxiran)-4-one, 8-(acetyloxy)-8a-((acetyloxy)methyl)-5-(2-(2,5-dihydro-5-oxo-3-furanyl)ethyl)-4a,5,6,7,8,8a-hexahydro-5,6-dimethyl-, (1R-(1alpha,4abeta,5beta,6alpha,8alpha,8aalpha))-

Molecular Formula: C24H30O8Molecular Weight: 446.490200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: ZECRFAVEBTUJCF-YNGUIKLFSA-N

79495-91-3
AJUGARIN I (6 suppliers)
Compound Structure IUPAC Name: [(4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate | CAS Registry Number: 62640-05-5
Synonyms: Ajugarin I, Ajugarin-1, CHEBI:585346, CID173866, C09058, {(1R,5S,6R,8S,8aR)-8-(acetyloxy)-5,6-dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl rel-acetate, 2(5H)-Furanone, 4-(2-(8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)ethyl)-, (1R-(1alpha,4abeta,5beta,6alpha,8alpha,8aalpha))-, 2(5H)-furanone, 4-[2-[(1R,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]-, InChI=1/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3/t15-,19?,20+,22+,23+,24+/m1/s

Molecular Formula: C24H34O7Molecular Weight: 434.522560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: RNYBNBANBCQZON-PGQNDPHJSA-N

62640-05-5
Ajugarin V (2 suppliers)
Compound Structure IUPAC Name: [(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate | CAS Registry Number: 82231-14-9
Synonyms: AC1L4ITQ, [(1S,3R,4S,4aR,8R,8aS)-3,4,8a-trimethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxirane]-1-yl] acetate, 2(5H)-Furanone, 4-(2-(8-(acetyloxy)octahydro-5,6,8a-trimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)ethyl)-, (1R-(1alpha,4abeta,5beta,6alpha,8alpha,8aalpha))-

Molecular Formula: C22H32O5Molecular Weight: 376.486480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: NQYDGORVAIQDBB-FYHNCAPNSA-N

82231-14-9
AJUGASTERONE C (7 suppliers)
Compound Structure IUPAC Name: (2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | CAS Registry Number: 23044-80-6
Synonyms: Ajugasterone C, CID441826, C08811

Molecular Formula: C27H44O7Molecular Weight: 480.634060 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 7

InChIKey: LQGNCUXDDPRDJH-UKTRSHMFSA-N

23044-80-6
Ajugatakasins A (1 supplier)
Compound Structure IUPAC Name: [(4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (E)-2-methylbut-2-enoate | CAS Registry Number: 197723-20-9

Molecular Formula: C34H46O11Molecular Weight: 630.731 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: BGAZAIQJEALJJF-PMKLNYQFSA-N

197723-20-9
Ajugol (15 suppliers)
Compound Structure IUPAC Name: (2S,3S,4R,5R,6S)-6-[[(4aS,7S,7aR)-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol | CAS Registry Number: 52949-83-4
Synonyms: AC1O562A, (2S,3S,4R,5R,6S)-6-[[(4aS,7S,7aR)-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol, beta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta(c)pyran-1-yl, (1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-

Molecular Formula: C15H24O9Molecular Weight: 348.345660 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: OUJVIWOUXFHELC-ZDSSIQEISA-N

52949-83-4
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