Cholesterol, 5-methyl-1-hexanoate

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-methylhexanoate

Also Known As: Cholesterol isoheptylate|Cholesterol, 5-methyl-1-hexanoate|Cholesterol 5-methylhexanoate|KST-1A7047|Cholest-5-en-3-yl 5-methylhexanoate|Cholest-5-en-3beta-yl 5-methylhexanoate|(3|A)-cholest-5-en-3-yl 5-methylhexanoate|Cholest-5-en-3-ol (3-beta)-, 5-methylhexanoate|3EC-(5-methyl-hexanoyloxy)-cholest-5-ene|4-06-00-04007 (Beilstein Handbook Reference)|Cholest-5-en-3-ol (3.beta.)-, 5-methylhexanoate|(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 5-methylhexanoate|[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 5-methylhexanoate

Molecular Formula	C34H58O2
Molecular Weight	498.4437 g/mol
LogP	9.77
Topological Polar Surface Area	26.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	10
Exact Mass	498.4437
Heavy Atoms	36
Complexity	780.1

Chemical Identifiers

CAS Number	63019-46-5
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCC(C)C)C)C