(3β)-cholest-5-en-3-ylheptanoate

Catalog Number	ACM1182076-1
CAS Number	1182-07-6
Structure
Synonyms	Cholest-5-en-3β-ol heptanoate
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] heptanoate
Molecular Weight	498.82
Molecular Formula	C34H58O2
Canonical SMILES	CCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI	InChI=1S/C34H58O2/c1-7-8-9-10-14-32(35)36-27-19-21-33(5)26(23-27)15-16-28-30-18-17-29(25(4)13-11-12-24(2)3)34(30,6)22-20-31(28)33/h15,24-25,27-31H,7-14,16-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,33+,34-/m1/s1
InChI Key	KXWDMNPRHKRGKB-DYQRUOQXSA-N
Boiling Point	530.3 ºC
Melting Point	113 ºC
Purity	98%+
Density	0.968 g/ml