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Product Overview

Product Code

TRC-C291914

Product Format

Neat

Molecular Formula

C30H42D5NaO10

Molecular Weight

595.71

Product Categories

TRC, Drug derivatives & metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Metabolite

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Chenodeoxycholic Acid-d5 24-Acyl-beta-D-glucuronide Sodium Salt

Molecular Formula

C30H42D5NaO10

Molecular Weight

595.71

SMILES

O[C@@H]1C[C@]2([H])C([2H])([2H])[C@@](O)([2H])C([2H])([2H])C[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[Na])=O)O5)=O)CC4)(C)CC3

InChI

InChI=1S/C30H48O10.Na/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);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-;/m1./s1/i8D2,12D2,16D;

IUPAC

sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxyoxane-2-carboxylate

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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Chenodeoxycholic Acid-d5 24-Acyl-b-D-glucuronide Sodium Salt (contains d0 up to 2%)

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