Actodigin genin structure

Actodigin genin

4-[(3S,5R,8R,9S,10S,13R,14S,17S)-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]-2H-furan-5-one

Also Known As: Actodigin genin|3-(3,14-Dihydroxyandrostan-17-yl)furan-2(5H)-one|3-[(3|A,5|A,14|A,17|A)-3,14-dihydroxyandrostan-17-yl]furan-2(5h)-one|4-[(3S,5R,8R,9S,10S,13R,14S,17S)-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]-2H-furan-5-one|24-Norchol-20(22)-en-21-oic acid, 3,14,23-trihydroxy-, gamma-lactone, (3beta,5beta,14beta)-|3-(3beta,14-Dihydroxy-5beta,14beta-androstan-17beta-yl)furan-2(5H)-one|3-[(3s,5r,8r,9s,10s,13r,14s,17s)-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]-5h-furan-2-one|4-((3S,5R,8R,9S,10S,13R,14S,17S)-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)-2H-furan-5-one

CAS: 23799-92-0
Molecular Formula C23H34O4
Molecular Weight 374.2457 g/mol
LogP 3.1
Topological Polar Surface Area 66.8 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 374.2457
Monoisotopic Mass 374.2457
Heavy Atoms 27
Complexity 686.0

Chemical Identifiers

CAS Number 23799-92-0
SMILES C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CCOC5=O)O)C)O
InChIKey YQNWBNVADSNDBH-AQSYGYMCSA-N

Product Overview

Actodigin genin (CAS 23799-92-0), with molecular formula C23H34O4 and molecular weight 374.2457 g/mol. IUPAC: 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-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]-2H-furan-5-one.

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