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Iso T-2 toxin

  • Formula: C24H34O9

  • Molecular weight: 466.50

  • Smiles: CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)OC(=O)C)O)C)COC(=O)C

  • Type: Trichothecene

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Iso T-2 toxin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Iso T-2 toxin

  • First synonym: None

  • Synonyms: Iso-T-2 toxin,XWD55652JC,34084-03-2,Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,15-diacetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-,TRICHOTHEC-9-ENE-3,4,8,15-TETROL, 12,13-EPOXY-, 3,15-DIACETATE 8-(3-METHYLBUTANOATE), (3.ALPHA.,4.BETA.,8.ALPHA.)-,TRICHOTHEC-9-ENE-3.ALPHA.,4.BETA.,8.ALPHA.,15-TETROL, 12,13-EPOXY-, 3,15-DIACETATE 8-ISOVALERATE,((1S,2R,4S,7R,9R,10R,11S,12S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-yl) 3-methylbutanoate,[(1S,2R,4S,7R,9R,10R,11S,12S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate,UNII-XWD55652JC,CHEMBL152432,Trichothec-9-ene-3alpha,4beta,8.lpha,15-tetrol, 12,13-epoxy-, 3,15-diacetate 8-isovalerate,TRICHOTHEC-9-ENE-3ALPHA,4BETA,8ALPHA,15-TETROL, 12,13-EPOXY-, 3,15-DIACETATE 8-ISOVALERATE

Identifiers / External links

Structure

  • Smiles: CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)OC(=O)C)O)C)COC(=O)C

  • Isomeric 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)O)C)COC(=O)C

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

  • Inchikey: SBEUAAIAYCUUJR-QYWOHJEZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H34O9

  • Molecular weight: 466.50

  • Monoisotopic mass: 466.22028266

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