15-Acetyldeoxynivalenol

CAS Registry Number®

88337-96-6

CAS Name

15-Acetyldeoxynivalenol

Molecular Formula

C17H22O7

Molecular Mass

338.35

Cite this Page

15-Acetyldeoxynivalenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88337-96-6 (retrieved 2024-11-22) (CAS RN: 88337-96-6).  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(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1

InChIKey

InChIKey=IDGRYIRJIFKTAN-HTJQZXIKSA-N

SMILES

C[C@]12[C@@]3([C@](O[C@]4([C@]1(COC(C)=O)[C@H](O)C(=O)C(C)=C4)[H])([C@H](O)C2)[H])CO3

Canonical SMILES

O=C(OCC12C(O)C(=O)C(=CC2OC3C(O)CC1(C)C43OC4)C)C

Other Names for this Substance

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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration