Ochratoxin C

CAS Registry Number®

4865-85-4

CAS Name

Ochratoxin C

Molecular Formula

C22H22ClNO6

Molecular Mass

431.87

Cite this Page

Ochratoxin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4865-85-4 (retrieved 2024-12-23) (CAS RN: 4865-85-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=BPZZWRPHVVDAPT-PXAZEXFGSA-N

SMILES

OC1=C2C(=C(Cl)C=C1C(N[C@@H](CC3=CC=CC=C3)C(OCC)=O)=O)C[C@@H](C)OC2=O

Canonical SMILES

O=C1OC(C)CC2=C(Cl)C=C(C(=O)NC(C(=O)OCC)CC=3C=CC=CC3)C(O)=C12

Other Names for this Substance

  • L-Phenylalanine, N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-, ethyl ester
  • Ochratoxin C
  • Alanine, N-[(5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl]-3-phenyl-, ethyl ester, L-
  • L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, ethyl ester, (R)-
  • Ochratoxin A ethyl ester

Deleted or Replaced CAS Registry Numbers

18496-58-7

CAS INSIGHTSTM
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