| PRODUCT NAME | CAS Registry Number |
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IUPAC Name: (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid | CAS Registry Number: 151380-53-9
Synonyms: Simonic acid B
| Molecular Formula: | C46H82O23 | Molecular Weight: | 1003.139 [g/mol] | | H-Bond Donor: | 12 | H-Bond Acceptor: | 23 |
InChIKey: YEDUSUPYCXZPQV-UXOFBADDSA-N
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IUPAC Name: (11S)-11-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid | CAS Registry Number: 115681-37-3
Synonyms: Merremoside i
| Molecular Formula: | C40H72O19 | Molecular Weight: | 856.997 [g/mol] | | H-Bond Donor: | 10 | H-Bond Acceptor: | 19 |
InChIKey: CPMNEEZJRJQMFA-RVJNHWRLSA-N
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| Molecular Formula: | C55H94O25 | Molecular Weight: | 1155.332 [g/mol] | | H-Bond Donor: | 9 | H-Bond Acceptor: | 25 |
InChIKey: DXPDWAIZXPOJSQ-PORQVQPFSA-N
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IUPAC Name: 13,15-dioxohexadecanoic acid | CAS Registry Number: 51568-22-0
Synonyms: NSC257825, AC1L7YR1, 13,15-dioxohexadecanoic acid, NSC-257825
| Molecular Formula: | C16H28O4 | Molecular Weight: | 284.391120 [g/mol] | | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: JTUHPKQVDKLPGI-UHFFFAOYSA-N
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IUPAC Name: [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | CAS Registry Number: 4568-88-1
Synonyms: AC1NR6H5, [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
| Molecular Formula: | C33H32N2O7 | Molecular Weight: | 568.616380 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 7 |
InChIKey: QTHTZERBUDCFLG-UHFFFAOYSA-N
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IUPAC Name: tert-butyl 16-[[(2S)-6-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]amino]-16-oxohexadecanoate | CAS Registry Number: 2180904-38-3
Synonyms: tert-butyl 15-{[(2S)-6-amino-1-(tert-butoxy)-1-oxohexan-2-yl]carbamoyl}pentadecanoate
| Molecular Formula: | C30H58N2O5 | Molecular Weight: | 526.800 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: PBACKJXXBPYSGU-VWLOTQADSA-N
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IUPAC Name: 2,3-bis(methylsulfonyloxy)propyl hexadecanoate | CAS Registry Number: 68146-52-1
Synonyms: NSC513355, AC1L6WMO, NSC-513355, 2,3-bis(methylsulfonyloxy)propyl hexadecanoate
| Molecular Formula: | C21H42O8S2 | Molecular Weight: | 486.683380 [g/mol] | | H-Bond Donor: | 0 | H-Bond Acceptor: | 8 |
InChIKey: IKLNERRJRIZDAH-UHFFFAOYSA-N
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IUPAC Name: 6-amino-3-phenyl-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | CAS Registry Number: 6033-83-6
Synonyms: F0894-0139, 6-amino-3-phenyl-4-(1-phenylethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, AC1MENKL, Enamine_001649, CBMicro_040819, MolPort-001-905-269, MolPort-004-824-001, HMS1398K21, STK945812, AKOS000550734, CCG-110014, MCULE-8807713684, BAS 01369663, BIM-0040709.P001, T0504-9757, T0510-1100, 6-amino-3-phenyl-4-(1-phenylethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula: | C21H18N4O | Molecular Weight: | 342.393820 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: IAIFBENZKXFKGB-UHFFFAOYSA-N
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IUPAC Name: 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)ethyl hexadecanoate | CAS Registry Number: 39815-60-6
Synonyms: AC1L3WV8, 2-(2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)ethyl hexadecanoate, Hexadecanoic acid, 2-(2,3-dihydro-2,4,6-trimethyl-3-oxo-1H-inden-5-yl)ethyl ester, (-)-
| Molecular Formula: | C30H48O3 | Molecular Weight: | 456.700320 [g/mol] | | H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: VJOBFJFQZHOJSZ-UHFFFAOYSA-N
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