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Product Overview

Product Code

TRC-D485040

CAS Number

152503-51-0

Product Format

Neat

Molecular Formula

C28 H28 O18

Molecular Weight

652.51

Product Categories

TRC, Flavonoids, API Reference Standards & Research Materials

Product Type

Metabolite, API

Documentation

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Product Information

Chemical Data

Analyte Name

Diosmetin 3',7-Diglucuronide

CAS Number

152503-51-0

Molecular Formula

C28 H28 O18

Molecular Weight

652.51

Accurate Mass

652.1276

SMILES

COc1ccc(cc1O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C3=CC(=O)c4c(O)cc(O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)cc4O3

InChI

InChI=1S/C28H28O18/c1-41-12-3-2-8(4-14(12)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40)/t17-,18-,19-,20-,21+,22+,23-,24-,27-,28-/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[2-[3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

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Chemical Data

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Diosmetin 3’,7-Diglucuronide (>85%)

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