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Musanahol

  • Formula: C24H34O4

  • Molecular weight: 386.50

  • Smiles: CC=CC=CC1COC(C1O)CCC(=CC2C(C(CO2)C=CC=CC)O)C=C

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Musanahol

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

  • Mycotoxin name: Musanahol

  • First synonym: (-)-musanahol

  • Synonyms: (-)-musanahol,(3S)-2alpha-[3-[(E)-[(2R)-3beta-Hydroxy-4alpha-[(1E,3E)-1,3-pentadienyl]tetrahydrofuran-2alpha-yl]methylene]-4-pentenyl]-4alpha-[(1E,3E)-1,3-pentadienyl]tetrahydrofuran-3beta-ol

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Structure

  • Smiles: CC=CC=CC1COC(C1O)CCC(=CC2C(C(CO2)C=CC=CC)O)C=C

  • Isomeric smiles: C/C=C/C=C/[C@@H]1CO[C@@H]([C@H]1O)CC/C(=C\[C@@H]2[C@H]([C@@H](CO2)/C=C/C=C/C)O)/C=C

  • Inchi: InChI=1S/C24H34O4/c1-4-7-9-11-19-16-27-21(23(19)25)14-13-18(6-3)15-22-24(26)20(17-28-22)12-10-8-5-2/h4-12,15,19-26H,3,13-14,16-17H2,1-2H3/b7-4+,8-5+,11-9+,12-10+,18-15-/t19-,20-,21-,22-,23+,24+/m1/s1

  • Inchikey: TVZDVFPOFVVQBJ-FQHJKSMCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H34O4

  • Molecular weight: 386.50

  • Monoisotopic mass: 386.24570956

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