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Substance Name: Ochratoxin B ethyl ester
RN: 18420-71-8
InChIKey: XXAVUHHKDMGGBR-UHFFFAOYSA-N

Molecular Formula

  • C22-H23-N-O6

Molecular Weight

  • 397.4247
 
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Names and Synonyms

Results Name

  • Ochratoxin B ethyl ester

Synonym

  • Ochratoxin B ethyl ester

Systematic Names

  • L-Phenylalanine, N-(((3R)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, ethyl ester
  • L-Phenylalanine, N-((3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, ethyl ester, (R)-

Registry Numbers

CAS Registry Number

  • 18420-71-8

System Generated Number

  • 0018420718

Structure Descriptors

InChI

1S/C22H23NO6/c1-3-28-21(26)17(12-14-7-5-4-6-8-14)23-20(25)16-10-9-15-11-13(2)29-22(27)18(15)19(16)24/h4-10,13,17,24H,3,11-12H2,1-2H3,(H,23,25)

InChIKey

XXAVUHHKDMGGBR-UHFFFAOYSA-N

Smiles

CCOC(=O)C(Cc1ccccc1)NC(=O)c2ccc3c(c2O)C(=O)OC(C3)C