AC1L5CVN

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

Also Known As: 7-Dehydrocholesteryl benzoate|KST-1A7620|(3|A)-cholesta-5,7-dien-3-yl benzoate|[(3R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate|17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate|Cholesta-5,7-dien-3a-ol, benzoate (6CI,8CI)|17-(1,5-Dimethylhexyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl benzo

Molecular Formula	C34H48O2
Molecular Weight	488.36542 g/mol
LogP	10.2
Topological Polar Surface Area	26.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	8
Exact Mass	488.36542
Monoisotopic Mass	488.36542
Heavy Atoms	36
Complexity	860.0

Chemical Identifiers

CAS Number	6948-59-0
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@H](C4)OC(=O)C5=CC=CC=C5)C)C
InChIKey	IHOQNBAZWVTKFK-LBLHASFESA-N