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Ochratoxin C-[d5]

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General Information
Catalog: BLP-003619
CAS: 1356840-94-2
Molecular Formula: C22H17D5ClNO6
Molecular Weight: 436.9

Chemical Structure

Description	Ochratoxin C-[d5], is the labelled analogue of Ochratoxin C, which is one of the most-abundant food-contaminating mycotoxins.
Synonyms	Ochratoxin C D5
IUPAC Name	ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoate
Related CAS	4865-85-4 (unlabelled)
Canonical SMILES	CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C3CC(OC(=O)C3=C2O)C)Cl
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+/m1/s1/i4D,5D,6D,7D,8D
InChI Key	BPZZWRPHVVDAPT-ACKYJMHYSA-N
Boiling Point	612.6±55.0°C at 760 mmHg
Purity	>98%
Density	1.3±0.1 g/cm3
Storage	Store at-20°C