CAS 1182-42-9 Cholesteryl caprylate - Materials / Alfa Chemistry

NAVIGATION

Cholesteryl caprylate

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Catalog Number

ACM1182429-2

CAS Number

1182-42-9

Product Name

Cholesteryl caprylate

Category

Liquid Crystal (LC) Materials

Synonyms

3β-hydroxy-5-cholestene 3-octanoate

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] octanoate

Molecular Weight

512.85

Molecular Formula

C35H60O2

Canonical SMILES

CCCCCCCC(=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/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1

InChI Key

SKLBBRQPVZDTNM-SJTWHRLHSA-N

Boiling Point

539.1 ºC

Melting Point

110 ºC (lit.)

Purity

98%+

Density

0.963 g/ml

Appearance

Solid

Application

Cholesteryl caprylate, appearing as a white fine crystalline powder, serves as a derivative of cholesterol, a crucial element in biological membranes and comprising about 25% of total brain lipids. This compound emphasizes the essential role of cholesterol, which is the predominant sterol in higher animals, and is found in all body tissues, especially in the brain and spinal cord. The purpose of cholesteryl caprylate is to leverage these fundamental properties of cholesterol, potentially providing benefits in structures or formulations where cholesterol's role in cellular membranes and lipid composition is of interest.

Complexity

782

Covalently-Bonded Unit Count

EC Number

214-656-2

Exact Mass

512.459331g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

cholesterol octanoate;cholesteryl caprylate;cholesteryl octanoate;cholesteryl octanoate, 13C-labeled;cholesteryl octanoate, 14C-labeled

Monoisotopic Mass