3β-hydroxy-5-cholestene 3-pentanoate

Catalog Number	ACM7726036-1
CAS Number	7726-03-6
Structure
Synonyms	Cholest-5-en-3β-ol valerate
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] pentanoate
Molecular Weight	470.77
Molecular Formula	C32H54O2
Canonical SMILES	CCCCC(=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/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
InChI Key	RWTQCZGAMKTBRV-PTHRTHQKSA-N
Boiling Point	530.0±29.0 ºC
Melting Point	90 ºC
Purity	98%+
Density	0.98±0.1 g/ml