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Product Overview

Product Code

TRC-M234673

Product Format

Neat

Molecular Formula

C30 H48 O11

Molecular Weight

584.7

Product Categories

Bile acids, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Alternate CAS Number

2393-59-1

Documentation

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Product Information

Chemical Data

Analyte Name

Beta-Muricholic Acid Glucuronide Conjugate 4

Molecular Formula

C30 H48 O11

Molecular Weight

584.7

Accurate Mass

584.3197

SMILES

C[C@H](CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)[C@@H](O)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C

InChI

InChI=1S/C30H48O11/c1-13(4-7-19(32)40-28-25(37)23(35)24(36)26(41-28)27(38)39)15-5-6-16-20-17(9-11-29(15,16)2)30(3)10-8-14(31)12-18(30)21(33)22(20)34/h13-18,20-26,28,31,33-37H,4-12H2,1-3H3,(H,38,39)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23+,24+,25-,26+,28-,29-,30-/m1/s1

IUPAC

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

Alternate CAS Number

2393-59-1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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