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Substance Name: Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3-alpha,4-beta,8-alpha)-
RN: 114753-65-0
InChIKey: ZTSXGHQXQTWINZ-GOLADLMOSA-N

Molecular Formula

  • C24-H34-O9

Molecular Weight

  • 466.524
 
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Names and Synonyms

Synonyms

  • 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 3,4-diacetate 8-isovalerate
  • Iso-T-2 toxin

Systematic Name

  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3-alpha,4-beta,8-alpha)-

Registry Numbers

CAS Registry Number

  • 114753-65-0

System Generated Number

  • 0114753650

Structure Descriptors

InChI

1S/C24H34O9/c1-12(2)7-18(28)32-16-9-23(10-25)17(8-13(16)3)33-21-19(30-14(4)26)20(31-15(5)27)22(23,6)24(21)11-29-24/h8,12,16-17,19-21,25H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1

InChIKey

ZTSXGHQXQTWINZ-GOLADLMOSA-N

Smiles

C[C@@]12[C@@H]([C@H]([C@H](O[C@@H]3C=C([C@H](C[C@@]13CO)OC(CC(C)C)=O)C)[C@@]12CO1)OC(C)=O)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intracrebral 204ug/kg (0.204mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: FLUID INTAKE

BEHAVIORAL: ATAXIA
Toxicon. Vol. 26, Pg. 923, 1988.
rat LD50 subcutaneous 1300ug/kg (1.3mg/kg)   Toxicon. Vol. 26, Pg. 923, 1988.