Cholesteryl benzoate

Catalog Number	ACM604320
CAS Number	604-32-0
Synonyms	3-Hydroxycholest-5-ene3-benzoate
IUPAC Name	[(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] benzoate
Molecular Weight	490.76
Molecular Formula	C34H50O2
Canonical 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)C5=CC=CC=C5)C)C
InChI	InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,33+,34-/m1/s1
InChI Key	UVZUFUGNHDDLRQ-LLHZKFLPSA-N
Boiling Point	545.16 ºC
Melting Point	148-150 ºC (lit.)
Flash Point	252.7ºC
Purity	98%+
Density	0.928 g/ml
Appearance	white powder