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Product Overview

Product Code

TRC-R318510

CAS Number

70793-10-1

Product Format

Neat

Molecular Formula

C21 H16 O12

Molecular Weight

460.34

Product Categories

TRC

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Rhein 8-beta-D-Glucuronide

CAS Number

70793-10-1

Molecular Formula

C21 H16 O12

Molecular Weight

460.34

Accurate Mass

460.0642

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2cccc3C(=O)c4cc(cc(O)c4C(=O)c23)C(=O)O)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C21H16O12/c22-9-5-6(19(28)29)4-8-11(9)14(24)12-7(13(8)23)2-1-3-10(12)32-21-17(27)15(25)16(26)18(33-21)20(30)31/h1-5,15-18,21-22,25-27H,(H,28,29)(H,30,31)/t15-,16-,17+,18-,21+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-(6-carboxy-8-hydroxy-9,10-dioxoanthracen-1-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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