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Sporotrichiol

  • Formula: C20H30O6

  • Molecular weight: 366.40

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

  • Type: Trichothecene

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Sporotrichiol

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

Names

  • Mycotoxin name: Sporotrichiol

  • First synonym: Sporotrichiol

  • Synonyms: Sporotrichiol,101401-89-2,Sporotrichol,CHEBI:175711,[(1R,2R,4S,7R,9R,10R,12S)-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C20H30O6/c1-11(2)5-16(23)25-14-8-19(9-21)15(6-12(14)3)26-17-13(22)7-18(19,4)20(17)10-24-20/h6,11,13-15,17,21-22H,5,7-10H2,1-4H3/t13-,14+,15-,17-,18-,19-,20+/m1/s1

  • Inchikey: RCFUVEKOPPKTBN-HSZRPRSMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H30O6

  • Molecular weight: 366.40

  • Monoisotopic mass: 366.20423867

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