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Product Overview

Product Code

TRC-A575530

CAS Number

23930-19-0

Product Format

Neat

Molecular Formula

C21 H32 O3

Molecular Weight

332.48

Product Categories

TRC, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials

Product Type

Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

Alfaxalone

CAS Number

23930-19-0

Molecular Formula

C21 H32 O3

Molecular Weight

332.48

Accurate Mass

332.2351

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

InChI

InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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