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Product Overview

Product Code

TRC-G641350

CAS Number

1192657-83-2

Product Format

Neat

Molecular Formula

C26 H43 N O6 . x[H2 O]

Molecular Weight

465.52

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Alternate CAS Number

Free base: 475-31-0

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Glycocholic Acid Hydrate

CAS Number

1192657-83-2

Molecular Formula

C26 H43 N O6 . x[H2 O]

Molecular Weight

465.52

Accurate Mass

483.3196

SMILES

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

InChI

InChI=1S/C26H43NO6.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);1H2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1

IUPAC

2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;hydrate

Alternate CAS Number

Free base: 475-31-0

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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