Product Code

TRC-O148515

Product Format

Neat

Molecular Formula

C22 H22 Cl N O6

Molecular Weight

431.866

Product Categories

TRC

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3-Epi-Ochratoxin C

Molecular Formula

C22 H22 Cl N O6

Molecular Weight

431.866

Accurate Mass

431.114

SMILES

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c2cc(Cl)c3C[C@H](C)OC(=O)c3c2O

InChI

InChI=1S/C22H22ClNO6/c1-3-29-21(27)17(10-13-7-5-4-6-8-13)24-20(26)15-11-16(23)14-9-12(2)30-22(28)18(14)19(15)25/h4-8,11-12,17,25H,3,9-10H2,1-2H3,(H,24,26)/t12-,17-/m0/s1

IUPAC

ethyl (2S)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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3-Epi-Ochratoxin C

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