Cholesteryl pelargonate

Catalog Number	ACM1182667-3
CAS Number	1182-66-7
Structure
Synonyms	Cholest-5-ene-3-beta-ylnonanoate
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] nonanoate
Molecular Weight	526.88
Molecular Formula	C36H62O2
Canonical SMILES	CCCCCCCCC(=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/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
InChI Key	WCLNGBQPTVENHV-MKQVXYPISA-N
Boiling Point	360 ºC
Melting Point	77 - 82°C
Flash Point	300.8°C
Purity	98%+
Density	0.97 g/cm³
Appearance	White crystals