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Product Overview

Product Code

TRC-O148495

CAS Number

189152-21-4

Product Format

Neat

Molecular Formula

C20H18ClNO6

Molecular Weight

403.81

Product Categories

TRC, Mycotoxin Research and Reference Materials , Environmental Food Contaminant Reference Materials , Mycotoxin Reference Materials

Product Type

Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

3-epi-Ochratoxin A

CAS Number

189152-21-4

Molecular Formula

C20H18ClNO6

Molecular Weight

403.81

Accurate Mass

403.08

SMILES

ClC1=C2C(C(O[C@H](C2)C)=O)=C(C(C(N[C@H](C(O)=O)CC3=CC=CC=C3)=O)=C1)O

InChI

InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m0/s1

IUPAC

((S)-5-chloro-8-hydroxy-3-methyl-1-oxoisochromane-7-carbonyl)-L-phenylalanine

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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