3-Acetyldeoxynivalenol

CAS Registry Number®

50722-38-8
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CAS Name

3-Acetyldeoxynivalenol

Molecular Formula

C17H22O7

Molecular Mass

338.35

Cite this Page

3-Acetyldeoxynivalenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=50722-38-8 (retrieved 2024-04-30) (CAS RN: 50722-38-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=ADFIQZBYNGPCGY-HTJQZXIKSA-N

SMILES

C[C@@]12[C@@]3([C@@]([C@H](OC(C)=O)C1)(O[C@]4([C@]2(CO)[C@H](O)C(=O)C(C)=C4)[H])[H])CO3

Canonical SMILES

O=C(OC1CC2(C)C3(OC3)C1OC4C=C(C(=O)C(O)C42CO)C)C

Other Names for this Substance

  • Trichothec-9-en-8-one, 3-(acetyloxy)-12,13-epoxy-7,15-dihydroxy-, (3α,7α)-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv.
  • (3α,7α)-3-(Acetyloxy)-12,13-epoxy-7,15-dihydroxytrichothec-9-en-8-one
  • Dehydronivalenol monoacetate
  • Deoxynivalenol monoacetate

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Deleted or Replaced CAS Registry Numbers

115825-62-2, 233593-19-6

CAS INSIGHTSTM
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