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8-Acetoxy-T-2 tetraol

  • Formula: C17H24O7

  • Molecular weight: 340.40

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

  • Type: Trichothecene

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8-Acetoxy-T-2 tetraol

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

  • Mycotoxin name: 8-Acetoxy-T-2 tetraol

  • First synonym: None

  • Synonyms: 8-acetoxy T-2 tetraol,[(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate,((1S,2R,4S,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-yl) acetate,(1's,2S,2'r,4's,7'r,9'r,10'r,11's)-10',11'-Dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.0,)dodecan)-5'-en-4'-yl acetic acid,(1's,2S,2'r,4's,7'r,9'r,10'r,11's)-10',11'-Dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0,]dodecan]-5'-en-4'-yl acetic acid,CHEBI:198253

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Structure

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

  • Isomeric smiles: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO

  • Inchi: InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1

  • Inchikey: JEDSAONQRSEAMA-BNWDXEGFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H24O7

  • Molecular weight: 340.40

  • Monoisotopic mass: 340.1522031

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