Petrosterol

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Also Known As: Petrosterol|KST-1A8208|(25R)-24R,26R-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol|(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|(24R,25R,26R)-24,26-dimethyl-26,27-cyclo-cholest-5-en-3beta-ol|26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24R(1S,2R))-|26,27-Dinorcholest-5-en-3-ol, 24-(2-methylcyclopropyl)-, (3beta,24R(1R,2R))-|(3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-{(2r,5r)-5-[(1r,2r)-2-methylcyclopropyl]hexan-2-yl}-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol(non-preferred name)|(24R)-24-[(1R,2R)-2-Methylcyclopropyl]-26,27-dinorcholest-5-en-3beta-ol|(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,10R,13R,17R)-10,13-dimethyl-17-((2R,5R)-5-((1R,2R)-2-methylcyclopropyl)hexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol|(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R,5R)-5-((1R,2R)-2-methylcyclopropyl)hexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol

Molecular Formula	C29H48O
Molecular Weight	412.3705 g/mol
LogP	8.8
Topological Polar Surface Area	20.2 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	5
Exact Mass	412.3705
Monoisotopic Mass	412.3705
Heavy Atoms	30
Complexity	680.0

Chemical Identifiers

CAS Number	779-24-8
SMILES	C[C@@H]1C[C@H]1[C@H](C)CC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChIKey	AOOVLQXWRHMRMX-BFPAFGTMSA-N