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Substance Name: T-2 acetate
RN: 21259-21-2
InChIKey: NOTOVTQRFFVBSB-VZPCOZJFSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C26-H36-O10

Molecular Weight

  • 508.5604
 
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Names and Synonyms

Results Name

  • T-2 acetate

Name of Substance

  • 3-Acetyl T-2 toxin

Synonyms

  • 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 3,4,15-triacetate 8-isovalerate
  • 3-Acetyl T-2
  • Acetyl T-2
  • BRN 6494202
  • T-2 acetate

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 21259-21-2

System Generated Number

  • 0021259212

Structure Descriptors

InChI

1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19+,21+,22+,23+,24+,25+,26-/m0/s1

InChIKey

NOTOVTQRFFVBSB-VZPCOZJFSA-N

Smiles

CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7200ug/kg (7.2mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.
mouse LD50 subcutaneous 7200ug/kg (7.2mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.
rat LD50 intracrebral 560ug/kg (0.56mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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