Cholesteryl pelargonate

Catalog Number

1182-66-7

CAS

1182-66-7

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

Synonyms

PELARGONIC ACID CHOLESTEROL ESTER; NONANOIC ACID CHOLESTEROL ESTER; (3β)-cholest-5-en-3-ylnonanoate; 3β-nonanoyloxycholest-5-ene; Cholest-5-en-3-ol(3.beta.)-,nonanoate; Cholest-5-en-3-yl nonanoate; cholest-5-ene-3-beta-yl; cholest-5-ene-3-beta-ylnonanoate

Molecular Weight

526.88

Molecular Formula

C36H62O2

Product Information

Purity

>89.0%(GC)

MDL

MFCD00003643

Appearance

White to off-white powder, crystals, crystalline powder, or crystalline chunks

Storage

Room temperature.

Boiling Point

360 °C

Melting Point

77 - 82°C

Flash Point

300.8°C

Density

0.97g/cm3

Optical Activity

[α]25/D −30°, c = 2 in chloroform

Safety Information

Precautionary Statement

P273

Hazard Statements

H413

WGK Germany

Canonical SMILES

CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(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