CAS 4865-85-4 Ochratoxin C - Analytical Products / Alfa Chemistry

CAT	APS4865854
CAS	4865-85-4
Structure
IUPAC Name	ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate
Molecular Weight	431.87
Molecular Formula	C22H22ClNO6
Canonical 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

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