Cholesteryl chloride

Catalog Number

910-31-6

CAS

910-31-6

IUPAC Name

(3S,8S,9S,10R,13R,14S,17R)-3-chloro-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]phenanthrene

Synonyms

3-chloro-,3.beta.-Cholest-5-ene; Cholest-5-ene, 3beta-chloro-; Cholest-5-ene, 3-chloro-, (3beta)-; Cholest-5-ene,3-chloro,(3β)-; BETA-CHLORO-5-CHOLESTENE; CHOLESTERYL CHLORIDE; CHOLESTEROL CHLORIDE; 5-CHOLESTEN-3BETA-CHLORIDE

Molecular Weight

405.1

Molecular Formula

C27H45Cl

Product Information

Purity

>87.0%(GC)

MDL

MFCD00003632

Physical State

Solid

Appearance

white to off-white crystalline powder

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Boiling Point

478.6°C at 760 mmHg

Melting Point

93-96°C

Density

0.99 g/cm3

Optical Activity

[α]25/D −24°, c = 1 in chloroform

Safety Information

WGK Germany

Canonical SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChI Key

OTVRYZXVVMZHHW-DPAQBDIFSA-N