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Substance Name: 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1
RN: 75084-21-8
InChIKey: PZJDDIRXYRNDJT-OPNNQBFTSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H15-Cl-O9

Molecular Weight

  • 422.7715
 
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Names and Synonyms

Results Name

  • 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1

Synonym

  • 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1

Systematic Name

  • Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-4-methoxy-, chloroacetate

Registry Numbers

CAS Registry Number

  • 75084-21-8

System Generated Number

  • 0075084218

Structure Descriptors

InChI

1S/C19H15ClO9/c1-25-8-4-9-13(14-16(27-10(22)5-20)18(24)29-19(14)26-9)15-12(8)6-2-3-7(21)11(6)17(23)28-15/h4,14,16,18-19,24H,2-3,5H2,1H3/t14-,16-,18-,19+/m1/s1

InChIKey

PZJDDIRXYRNDJT-OPNNQBFTSA-N

Smiles

COc1cc2O[C@H]3O[C@@H](O)[C@H](OC(=O)CCl)[C@H]3c2c4OC(=O)C5=C(CCC5=O)c14