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Substance Name: Deoxynivalenol triacetate
RN: 51550-28-8
UNII: 6L95R130ZZ
InChIKey: FUPMDISLTMETBI-BVSSFOLZSA-N

Molecular Formula

  • C21-H26-O9

Molecular Weight

  • 422.4274
 
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Names and Synonyms

Results Name

  • Deoxynivalenol triacetate

Name of Substance

  • Deoxynivalenol triacetate

Synonyms

  • (3alpha,7alpha)-3,7,15-Tris(acetyloxy)-12,13-epoxytrichothec-9-en-5-one
  • 3,7,15-Triacetyldeoxynivalenol
  • 3,7,15-Tris(acetyloxy)-12,13-epoxytrichothec-9-en-8-one (3alpha,7alpha)-
  • Deoxynivalenol triacetate
  • NSC 269145
  • Triacetyldeoxynivalenol
  • UNII-6L95R130ZZ
  • Vomitoxin, triacetoxy deriv.

Systematic Names

  • Trichothec-9-en-5-one, 3,7,15-tris(acetyloxy)-12,13-epoxy-, (3alpha,7alpha)-
  • Trichothec-9-en-8-one, 3,7,15-tris(acetyloxy)-12,13-epoxy-, (3alpha,7alpha)-

Registry Numbers

CAS Registry Number

  • 51550-28-8

FDA UNII

  • 6L95R130ZZ

System Generated Number

  • 0051550288

Structure Descriptors

InChI

1S/C21H26O9/c1-10-6-15-20(8-26-11(2)22,18(16(10)25)29-13(4)24)19(5)7-14(28-12(3)23)17(30-15)21(19)9-27-21/h6,14-15,17-18H,7-9H2,1-5H3/t14-,15-,17-,18-,19-,20-,21+/m1/s1

InChIKey

FUPMDISLTMETBI-BVSSFOLZSA-N

Smiles

CC1=C[C@@H]2[C@]([C@@H](C1=O)OC(=O)C)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)COC(=O)C