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Substance Name: 8-Trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1
RN: 75084-20-7
InChIKey: NLRLZWNYZDUDLQ-OMNBBPDLSA-N

Molecular Formula

  • C19-H13-Cl3-O9

Molecular Weight

  • 491.6617
 
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Names and Synonyms

Results Name

  • 8-Trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1

Synonyms

  • 1,2,3,6a,8,9,9a,11-Octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)bnezopyran-8-yl trichloroacetate (6aS-(6aalpha,8beta,9alpha,9aalpha))-
  • 8-Trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1

Systematic Name

  • Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)bnezopyran-8-yl ester, (6aS-(6aalpha,8beta,9alpha,9aalpha))-

Registry Numbers

CAS Registry Number

  • 75084-20-7

System Generated Number

  • 0075084207

Structure Descriptors

InChI

1S/C19H13Cl3O9/c1-27-7-4-8-11(14-10(7)5-2-3-6(23)9(5)15(25)29-14)12-13(24)17(30-16(12)28-8)31-18(26)19(20,21)22/h4,12-13,16-17,24H,2-3H2,1H3/t12-,13-,16+,17+/m1/s1

InChIKey

NLRLZWNYZDUDLQ-OMNBBPDLSA-N

Smiles

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