5 Alpha-ergostane-3 beta,5,6 beta,7 beta-tetrol

(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol

Also Known As: 5-EG-TO|5alpha-Ergostane-3beta,5,6beta,7beta-tetrol|ergostane-3,5,6,7-tetrol|5|A-ergostane-3|A,5,6|A,7|A-tetrol|5 Alpha-ergostane-3 beta,5,6 beta,7 beta-tetrol|J1.617.492K|(24S)-Ergostane-3beta,5alpha,6beta,7beta-tetrol|Ergostane-3,5,6,7-tetrol, (3beta,5alpha,6beta,7beta)-|(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol|(24S)-24-Methylcholestane-3beta,5alpha,6beta,7beta-tetrol|(1R,3aS,3bS,4R,5R,5aR,7S,9aR,9bS,11aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,5,5a,7-tetrol|(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((1R,4R)-1,4,5-trimethyl-hexyl)-hexadecahydro-cyclopenta[a]phenanthrene-3,5,6,7-tetraol

Molecular Formula	C28H50O4
Molecular Weight	450.3709 g/mol
LogP	6.2
Topological Polar Surface Area	80.9 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	450.3709
Monoisotopic Mass	450.3709
Heavy Atoms	32
Complexity	680.0

Chemical Identifiers

CAS Number	84965-66-2
SMILES	C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)O)C
InChIKey	XMPORRMUVWJINB-AQESZVELSA-N