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Product Overview

Product Code

TRC-P337020

CAS Number

852657-49-9

Product Format

Neat

Molecular Formula

C22 H22 O12

Molecular Weight

478.403

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

[(1-Phenyl-1H-tetrazol-5-yl)sulfonyl]acetic Acid Ethyl Ester

CAS Number

852657-49-9

Molecular Formula

C22 H22 O12

Molecular Weight

478.403

Accurate Mass

478.111

SMILES

COc1ccc(cc1O)[C@H]2CC(=O)c3c(O)cc(O[C@@H]4OC([C@H](O)C(O)C4O)C(=O)O)cc3O2

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-/m1/s1

IUPAC

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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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