(3β)-cholest-5-en-3-ylethanoate

Catalog Number	ACM604353-2
CAS Number	604-35-3
Structure
Synonyms	Cholest-5-en-3beta-ol acetate
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] acetate
Molecular Weight	428.69
Molecular Formula	C29H48O2
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)C)C)C
InChI	InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChI Key	XUGISPSHIFXEHZ-VEVYEIKRSA-N
Boiling Point	483.5 ºC
Melting Point	112-114 ºC (lit.)
Purity	98%+
Density	0.993 g/ml