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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
3
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
