3-Epi-Ochratoxin C-d5

• CAT Number: R021114
• CAS Number: NA
• Molecular Formula: C₂₂H₁₇D₅ClNO₆
• Molecular Weight: 436.9
• Purity: ≥95%
• Storage: -80°C
• IUPAC Name: ethyl (2S)-2-[[(3S)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoate
• 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/i4D,5D,6D,7D,8D
• InChIKey: BPZZWRPHVVDAPT-OZPIKUNDSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)OCC)NC(=O)C2=CC(=C3C[C@@H](OC(=O)C3=C2O)C)Cl)[2H])[2H]

3-Epi-Ochratoxin C-d5 is a deuterium-labeled form of 3-Epi-Ochratoxin C, a mycotoxin produced by certain fungi and related to ochratoxin A. The deuterium labeling facilitates precise tracking and quantification in analytical studies, particularly using mass spectrometry. This compound is essential for studying the metabolism, bioavailability, and toxicological effects of ochratoxins, aiding in the development of strategies for detecting and mitigating mycotoxin contamination in food and feed. Its use is crucial in environmental monitoring, food safety research, and understanding the impact of ochratoxins on health.