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Substance Name: 4,15-Diacetylnivalenol
RN: 14287-82-2
InChIKey: PIHGROVBUUNPDW-SUWHGTQISA-N

Note

  • A trichothecene mycotoxin.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C19-H24-O9

Molecular Weight

  • 396.3896
 
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Names and Synonyms

Name of Substance

  • 4,15-Diacetylnivalenol

Synonyms

  • 4,15-Bis(acetyloxy)-12,13-epoxy-3,7-dihydroxytrichothec-9-en-8-one (3alpha,4beta,7alpha)-
  • 4,15-Diacetylnivalenol
  • Diacetylnivalenol
  • Diazetylnivalenol
  • Diazetylnivalenol [German]
  • Nivalenol 4,15-diacetate
  • Nivalenol diacetate
  • NSC 267034
  • Saubinin I

Systematic Names

  • Trichothec-9-en-8-one, 12,13-epoxy-3-alpha,4-beta,7-alpha,15-tetrahydroxy-, 4,15-diacetate
  • Trichothec-9-en-8-one, 4,15-bis(acetyloxy)-12,13-epoxy-3,7-dihydroxy-, (3alpha,4beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 14287-82-2

System Generated Number

  • 0014287822

Structure Descriptors

InChI

1S/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,15-,16-,17?,18-,19?/m1/s1

InChIKey

PIHGROVBUUNPDW-SUWHGTQISA-N

Smiles

CC1=C[C@@H]2[C@]([C@@H](C1=O)O)(C3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)COC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 9600ug/kg (9.6mg/kg)   Applied Microbiology. Vol. 25, Pg. 699, 1973.