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Dechloroisochromophilone iii

  • Formula: C19H26O4

  • Molecular weight: 318.40

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

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Dechloroisochromophilone iii

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

Names

  • Mycotoxin name: Dechloroisochromophilone iii

  • First synonym: Dechloroisochromophilone iii

  • Synonyms: Dechloroisochromophilone III,(7R,8R,8aR)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one,3-[(1E,3E,5S)-3,5-Dimethyl-1,3-heptadienyl]-1,7,8,8aalpha-tetrahydro-7alpha,8alpha-dihydroxy-7-methyl-6H-2-benzopyran-6-one

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Structure

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

  • Isomeric smiles: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]([C@@H]([C@H]2CO1)O)(C)O

  • Inchi: InChI=1S/C19H26O4/c1-5-12(2)8-13(3)6-7-15-9-14-10-17(20)19(4,22)18(21)16(14)11-23-15/h6-10,12,16,18,21-22H,5,11H2,1-4H3/b7-6+,13-8+/t12-,16-,18+,19-/m0/s1

  • Inchikey: CDNUINONZTWWCE-HESROLHBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H26O4

  • Molecular weight: 318.40

  • Monoisotopic mass: 318.18310931

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