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Product Overview

Product Code

TRC-H288995

CAS Number

1237479-09-2

Product Format

Neat

Molecular Formula

C22H22O12

Molecular Weight

478.4

API Family

Hesperetin

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity, Metabolite

Alternate CAS Number

67322-08-1

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

rac-Hesperetin 7-O-beta-D-Glucuronide

CAS Number

1237479-09-2

Molecular Formula

C22H22O12

Molecular Weight

478.4

Accurate Mass

478.1111

SMILES

OC1=C(C(C[C@@H](C2=CC(O)=C(OC)C=C2)O3)=O)C3=CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=C1

InChI

InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t14-,17-,18-,19+,20-,22+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid

Alternate CAS Number

67322-08-1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Hesperetin

Purity

>95% (HPLC)

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