Stigmastenone

(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Also Known As: Stigmastenone|STIGMASTEROL|5beta-Stigmast-22-en-3-one|(5beta,22E)-Stigmast-22-en-3-one|Stigmast-22-en-3-one, (5beta,22E)-|24beta-Ethyl-5beta-cholest-22-en-3-one|5.BETA.-STIGMAST-22-EN-3-ONE|(5.BETA.,22E)-STIGMAST-22-EN-3-ONE|STIGMAST-22-EN-3-ONE, (5.BETA.,22E)-|24.BETA.-ETHYL-5.BETA.-CHOLEST-22-EN-3-ONE|(5R,8R,9S,10S,13R,14S,17R)-17-((2R,5S,E)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethylhexadecahydro-3H-cyclopenta(a)phenanthren-3-one|(5R,8R,9S,10S,13R,14S,17R)-17-((E,2R,5S)-5-Ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-one|(5R,8R,9S,10S,13R,14S,17R)-17-((E,2R,5S)-5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-one|(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one|(5R,8R,9S,10S,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Molecular Formula	C29H48O
Molecular Weight	412.3705 g/mol
LogP	8.0889
Topological Polar Surface Area	17.07 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	5
Exact Mass	412.3705
Monoisotopic Mass	412.3705
Heavy Atoms	30
Complexity	661.2747

Chemical Identifiers

CAS Number	4736-55-4
SMILES	CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C)C(C)C