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Isochromophilone viii

  • Formula: C21H27ClO5

  • Molecular weight: 394.90

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2CO1)OC(=O)C)(C)O)Cl

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Isochromophilone viii

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

Names

  • Mycotoxin name: Isochromophilone viii

  • First synonym: Isochromophilone viii

  • Synonyms: Isochromophilone VIII,175773-90-7,[5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate,FO-4164 VIII,6H-2-Benzopyran-6-one, 8-(acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-1,7,8,8a-tetrahydro-7-hydroxy-7-methyl-

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Structure

  • Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2CO1)OC(=O)C)(C)O)Cl

  • Isomeric smiles: CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)C(C(C2CO1)OC(=O)C)(C)O)Cl

  • Inchi: InChI=1S/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+

  • Inchikey: MMOJJYPBNVVCGY-NJHPPEEMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H27ClO5

  • Molecular weight: 394.90

  • Monoisotopic mass: 394.1547017

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