Cholest-5-en-3-ol (3beta)-, 3-nitrate

[(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] nitrate

Also Known As: Cholesterol nitrate|Cholest-5-en-3-yl nitrate|Cholest-5-en-3beta-ol nitrate|(3|A)-cholest-5-en-3-yl nitrate|KST-1A0041|Nitric acid 3beta-cholesteryl ester|Cholest-5-en-3-ol (3beta)-, nitrate|Cholest-5-en-3-ol (3beta)-, 3-nitrate|Cholest-5-en-3-ol (3b)-, 3-nitrate|Nitric acid cholest-5-en-3beta-yl ester|Cholest-5-en-3-ol (3.beta.)-, 3-nitrate|(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 nitrate|[(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] nitrate

Molecular Formula	C27H45NO3
Molecular Weight	431.33994 g/mol
LogP	7.6
Topological Polar Surface Area	52.37 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	431.33994
Heavy Atoms	31
Complexity	702.6

Chemical Identifiers

CAS Number	3255-05-8
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)O[N+](=O)[O-])C)C