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Trichodiol

  • Formula: C15H24O3

  • Molecular weight: 252.35

  • Smiles: CC1(CCC(C=C1)(C)O)C2(CCC(C23CO3)O)C

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Trichodiol

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

  • Mycotoxin name: Trichodiol

  • First synonym: 1-oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3s-(3alpha,4beta,7beta(1r*,4s*)))-

  • Synonyms: 1-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))-,40522-81-4,Trichodiol,UNII-5DKB6A2U8X,5DKB6A2U8X,DTXSID10193538,(3S-(3alpha,4beta,7beta(1R*,4S*)))-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro(2.4)heptan-4-ol,7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro(2.4)heptan-4-ol (3S-(3alpha,4beta,7beta(1R*,4S*)))-

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Structure

  • Smiles: CC1(CCC(C=C1)(C)O)C2(CCC(C23CO3)O)C

  • Isomeric smiles: C[C@@]1(CCC(C=C1)(C)O)C2(CC[C@H]([C@@]23CO3)O)C

  • Inchi: InChI=1S/C15H24O3/c1-12(6-8-13(2,17)9-7-12)14(3)5-4-11(16)15(14)10-18-15/h6,8,11,16-17H,4-5,7,9-10H2,1-3H3/t11-,12-,13?,14?,15+/m1/s1

  • Inchikey: UNKZRHRAZRDEOM-RSFISVRASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H24O3

  • Molecular weight: 252.35

  • Monoisotopic mass: 252.17254462

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