Name: 3-epi-Ochratoxin A-d5
Brand: TRC
SKU: TRC-O148497

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Product Overview

Product Code

TRC-O148497

CAS Number

1177316-02-7

Product Format

Neat

Molecular Formula

C20H13D5ClNO6

Molecular Weight

408.84

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Bioactive small molecule, Stable Isotope Labelled

Unlabelled CAS Number

189152-21-4

Documentation

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Product Information

Chemical Data

Analyte Name

3-epi-Ochratoxin A-d5

CAS Number

1177316-02-7

Molecular Formula

C20H13D5ClNO6

Molecular Weight

408.84

Accurate Mass

408.1136

SMILES

[2H]c1c([2H])c([2H])c(C[C@H](NC(=O)c2cc(Cl)c3C[C@H](C)OC(=O)c3c2O)C(=O)O)c([2H])c1[2H]

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/i2D,3D,4D,5D,6D

IUPAC

(2S)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid

Unlabelled CAS Number

189152-21-4

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled

Product Format

Neat

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