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Product Overview

Product Code

TRC-A166000

CAS Number

490028-21-2

Product Format

Neat

Molecular Formula

C21 H23 I O12

Molecular Weight

594.305

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

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Product Information

Chemical Data

Analyte Name

3-(Acetyloxy)-5-iodophenol-2',3',4'-tri-O-acetyl-beta-D-glucuronide Methyl Ester

CAS Number

490028-21-2

Molecular Formula

C21 H23 I O12

Molecular Weight

594.305

Accurate Mass

594.023

SMILES

COC(=O)[C@H]1O[C@@H](Oc2cc(I)cc(OC(=O)C)c2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C21H23IO12/c1-9(23)29-14-6-13(22)7-15(8-14)33-21-19(32-12(4)26)17(31-11(3)25)16(30-10(2)24)18(34-21)20(27)28-5/h6-8,16-19,21H,1-5H3/t16-,17-,18-,19+,21+/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-acetyloxy-5-iodophenoxy)oxane-2-carboxylate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Intermediate for the synthesis of glucuronide conjugates of trans-Resveratrol

References: Learmonth, D.A., et al.: Bioconjug. Chem., 14, 262 (2003),

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3-(Acetyloxy)-5-iodophenol-2’,3’,4’-tri-O-acetyl-Beta-D-glucuronide Methyl Ester

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