Cholesta-5,7,9(11)-trien-3-ol, (3beta)-

(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol

Also Known As: Cholestatrienol|V-KhTE|Cholesterol Impurity 67|Cholesta-5,7,9(11)-trien-3beta-ol|Cholesta-5,7,9-trien-3beta-ol|Cholesta-5,7,9-trien-3?-ol|Cholesta-5,7,9(11)-trien-3-ol, (3beta)-|cholesta-5,7,9-trien-3 beta-ol|Cholesta-5,7,9-trien-3.beta.-ol|Cholesta-5,7,9(11)-trien-3-ol|Cholesta-5,7,9(11)-trien-3-ol #|delta(5,7,9(11))-Cholestatriene-3beta-ol|Cholesta-5,7,9(11)-trien-3.beta.-ol|Cholesta-5,7,9(11)-trien-3-ol, (3.beta.)-|(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol|(1R,3aR,7S,9aS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,10S,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol|(3S,10S,13R,14R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10,13-dimethyl-2,3,4,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula	C27H42O
Molecular Weight	382.32358 g/mol
LogP	7.4
Topological Polar Surface Area	20.2 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	5
Exact Mass	382.32358
Monoisotopic Mass	382.32358
Heavy Atoms	28
Complexity	695.0

Chemical Identifiers

CAS Number	51982-45-7
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChIKey	YQYYDLWKDGKMKI-BXAZICILSA-N