Marthasterone

(6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one

Also Known As: Marthasterone|Carbonic acid,dinonyl ester|3,6-Dihydroxycholesta-9(11),24-dien-23-one|3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one|3-|A,6|A-dihydroxy-5|A-cholesta-9(11),24-dien-23-one|(6R)-6-[(3S,5S,6S,8S,10S,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one|3-beta,6alpha-Dihydroxy-5alpha-cholesta-9(11),24-dien-23-one|3-beta,6 alpha-dihydroxy-5 alpha-cholesta-9(11),24-dien-23-one|3beta,6alpha-Dihydroxy-5alpha-cholesta-9(11),24-diene-23-one|Cholesta-9(11),24-dien-23-one, 3,6-dihydroxy-, (3b,5a,6a)-|(3 beta,5 alpha,6 alpha)-3,6-dihydroxy-cholesta-9(11),24-dien-23-one|(3beta,5alpha,6alpha)-3,6-Dihydroxy-cholesta-9(11),24-dien-23-one|(6R)-6-[(1R,3aS,3bS,5S,5aS,7S,9aS,11aR)-5,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-en-4-one

Molecular Formula	C27H42O3
Molecular Weight	414.3134 g/mol
LogP	5.2
Topological Polar Surface Area	57.5 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	414.3134
Monoisotopic Mass	414.3134
Heavy Atoms	30
Complexity	747.0

Chemical Identifiers

CAS Number	41287-14-3
SMILES	C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C
InChIKey	JMTGPYQQNHOZAL-GNGILNPGSA-N