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15-acetoxyscirpen-3,4-diol

  • Formula: C17H24O6

  • Molecular weight: 324.40

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

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15-acetoxyscirpen-3,4-diol

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

  • Mycotoxin name: 15-acetoxyscirpen-3,4-diol

  • First synonym: None

  • Synonyms: Desacetylanguidine,Monoacetoxyscirpenol,Deacetylanguidin,15-Acetylscirpenetriol,15-O-Acetylscirpenetriol,15-Mono-O-acetylscirpenol,4-Deacetylanguidin,15-Acetoxyscirpen-3,4-diol,NSC 267030,NSC-267030,15-monoacetoxyscirpenol,15-MAS,Scirp-9-ene-3.alpha.,4.beta.,15-triol, 12,13-epoxy-, 15-acetate,Trichothec-9-ene-3.alpha.,4.beta.,15-triol, 12,13-epoxy-, 15-acetate,CHEBI:175144,CHEBI:201482,IRXDUBNENLKYTC-UHFFFAOYSA-N,Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 15-acetate, (3.alpha.,4.beta.)-,ANGUIDINE,4-DIOL-BL5732),NSC267030,Trichothec-9-ene-3alpha,4alpha,4beta)-,F85597,Anguidine, desacetyl(15-acetoxyscirpene-3,4-diol-BL5732),(3.alpha.)-12,13-Epoxytrichothec-9-ene-3,4,15-triol 15-acetate,Trichothec-9-ene-3.alpha.,15-triol, 12,13-epoxy-, 15-acetate,Trichothec-9-ene-3,15-triol, 12,13-epoxy-, 15-acetate, (3.alpha.,4.beta.)-,(10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate

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Structure

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

  • Isomeric smiles: CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C

  • Inchi: InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3

  • Inchikey: IRXDUBNENLKYTC-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H24O6

  • Molecular weight: 324.40

  • Monoisotopic mass: 324.15728848

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