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Substance Name: Acetyldeoxynivalenol
RN: 54648-10-1
InChIKey: ADFIQZBYNGPCGY-KLOHDQKESA-N

Molecular Formula

  • C17-H22-O7

Molecular Weight

  • 338.3538
 
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Names and Synonyms

Name of Substance

  • Acetyldeoxynivalenol

Synonyms

  • 12,13-Epoxy-3alpha,7alpha,15-trihydroxytrichothec-9-en-8-one monoacetate
  • Acetyldeoxynivalenol

Systematic Name

  • Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, monoacetate, (3alpha,7alpha)-

Registry Numbers

CAS Registry Number

  • 54648-10-1

System Generated Number

  • 0054648101

Structure Descriptors

InChI

1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17?/m1/s1

InChIKey

ADFIQZBYNGPCGY-KLOHDQKESA-N

Smiles

CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C34CO4)O2)OC(=O)C)C)CO