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Product Overview

Product Code

TRC-H924880

CAS Number

168286-98-4

Product Format

Neat

Molecular Formula

C15 H13 O9 . Na

Molecular Weight

360.25

API Family

Coumarin

Product Categories

TRC, Environmental Food Contaminant Reference Materials , Natural Products

Product Type

Metabolite, Bioactive Small Molecule

Alternate CAS Number

Free acid: 66695-14-5

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

7-Hydroxycoumarin beta-D-glucuronide sodium salt

CAS Number

168286-98-4

Molecular Formula

C15 H13 O9 . Na

Molecular Weight

360.25

Accurate Mass

360.0457

SMILES

[Na+].O[C@H]1[C@H](Oc2ccc3C=CC(=O)Oc3c2)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)[O-]

InChI

InChI=1S/C15H14O9.Na/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21;/h1-5,10-13,15,17-19H,(H,20,21);/q;+1/p-1/t10-,11-,12+,13-,15+;/m0./s1

IUPAC

sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylate

Alternate CAS Number

Free acid: 66695-14-5

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Coumarin

Purity

>95% (HPLC)

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Product Overview

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Chemical Data

Product Data

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7-Hydroxy Coumarin Beta-D-Glucuronide Sodium Salt

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