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Product Overview

Product Code

TRC-C291910

CAS Number

208038-27-1

Product Format

Neat

Molecular Formula

C30H48O10

Molecular Weight

568.7

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite, Bioactive Small Molecule

Purity

>95% (HPLC)

Drug Type

Steroids / Hormones

Documentation

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Product Information

Chemical Data

Analyte Name

Chenodeoxycholic Acid 24-Acyl-beta-D-glucuronide

CAS Number

208038-27-1

Molecular Formula

C30H48O10

Molecular Weight

568.7

SMILES

O[C@@H]1C[C@]2([H])C[C@H](O)CC[C@]2(C)[C@]3([H])[C@]1([H])[C@@]4([H])[C@]([C@@]([H])([C@H](C)CCC(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O5)=O)CC4)(C)CC3

InChI

InChI=1S/C30H48O10/c1-14(4-7-21(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(31)12-15(29)13-20(22)32/h14-20,22-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)

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