Ochratoxin A-d5

Analyte Name

Ochratoxin A-d5

CAS Number

666236-28-8

Molecular Formula

C20 2H5 H13 Cl N O6

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+/m1/s1/i2D,3D,4D,5D,6D

IUPAC

(2S)-2-[[(3R)-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

303-47-9

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Ochratoxin A

Purity

>95% (HPLC)