Cholesteryl chloroformate

Catalog Number

7144-08-3

CAS

7144-08-3

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] carbonochloridate

Synonyms

carbonochloridate; Cholest-5-en-3-ol(3.beta.)-,carbonochloridate; CHLOROFORMIC ACID CHOLESTEROL ESTER; CHOLESTERYL CHLOROFORMATE; CHOLESTEROL CHLOROFORMATE; 5-CHOLESTEN-3-BETA-OL CHLOROFORMATE; Chloroformic acid cholesteryl ester; cholest-5-ene-3-beta-yl chloro

Molecular Weight

449.1

Molecular Formula

C28H45ClO2

Product Information

Purity

>98.0%(T)

MDL

MFCD00003633

Appearance

Crystals

Storage

-20°C

Density

1.05 g/cm3

Optical Activity

[α]27/D −28°, c = 2 in chloroform

Safety Information

Signal Word

Danger

Precautionary Statement

P280-P305+P351+P338-P310

Hazard Statements

H314

Hazard Class

WGK Germany

Packing Groups

Canonical SMILES

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

InChI

InChI=1S/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,27+,28-/m1/s1

InChI Key

QNEPTKZEXBPDLF-JDTILAPWSA-N