Ochratoxin C
Product Code
TRC-O148510
CAS Number
Product Format
Neat
Molecular Formula
C22 H22 Cl N O6
Molecular Weight
431.87
Product Categories
TRC, Mycotoxin Research and Reference Materials , Environmental Food Contaminant Reference Materials , Mycotoxin Reference Materials
Product Type
MetabolitePurity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Ochratoxin C
CAS Number
4865-85-4
Molecular Formula
C22 H22 Cl N O6
Molecular Weight
431.87
Accurate Mass
431.1136
Flash Point
-20
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+/m1/s1
IUPAC
ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Purity
>95% (HPLC)