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)OC(=O)C)C)CO

  • Type: Trichothecenese

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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: Iso-t-2 toxin

  • Synonyms: Iso-T-2 toxin, 114753-65-0, 12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 3,4-diacetate 8-isovalerate, Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,4-diacetate 8-(3-methylbutanoate), (3-alpha,4-beta,8-alpha)-, DTXSID00921488, 3,4-Bis(acetyloxy)-15-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate

Identifiers / External links

Structure

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

  • Isomeric smiles: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)OC(=O)C)OC(=O)C)C)CO

  • Inchi: 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

  • 2D structure:

  • 3D structure:

UV spectrometer properties

  • Retention time: 17.61

  • Retention index: 1015

  • Peak symmetry: 1.80

  • UV absorption: End

  • Predominant sensibility factor: 467, 245(90), 305(70), 215(65), 484(52)

  • Relative sensibility factor: 0.02000

Physico-chemical properties

  • Formula: C24H34O9

  • Molecular weight: 466.50

  • Monoisotopic mass: 466.22028266

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Fungi