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Product Overview

Product Code

TRC-B682415

CAS Number

1258-35-1

Product Format

Neat

Molecular Formula

C29H49BrO3

Molecular Weight

525.6

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

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Product Information

Chemical Data

Analyte Name

5-Bromo-5alpha-cholestane-3,6-diol 3-Acetate

CAS Number

1258-35-1

Molecular Formula

C29H49BrO3

Molecular Weight

525.6

Accurate Mass

524.2865

SMILES

CC(C)CCC[C@@H](C)C1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(Br)C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C

InChI

InChI=1S/C29H49BrO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(32)29(30)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3/t19-,21-,22+,23?,24+,25+,26-,27-,28-,29+/m1/s1

IUPAC

[(3R,5R,6R,8S,9S,10R,13R,14S)-5-bromo-6-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Intermediate in the production of cholesterol derivatives.

References: Kobayashi, Y., et al.: Chem. Pharm. Bull., 23, 196 (1975),

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