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Penicilazaphilone b

  • Formula: C19H28O6

  • Molecular weight: 352.40

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

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Penicilazaphilone b

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

Names

  • Mycotoxin name: Penicilazaphilone b

  • First synonym: Penicilazaphilone b

  • Synonyms: Penicilazaphilone B,(7R,8R,8aR)-3-[(1E,5S)-3,4-Dihydroxy-3,5-dimethylhept-1-en-1-yl]-7,8-dihydroxy-7-methyl-1,7,8,8a-tetrahydro-6H-isochromen-6-one,(7R,8R,8aR)-3-[(E,5S)-3,4-dihydroxy-3,5-dimethyl-hept-1-enyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one

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Structure

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

  • Inchi: InChI=1S/C19H28O6/c1-5-11(2)16(21)18(3,23)7-6-13-8-12-9-15(20)19(4,24)17(22)14(12)10-25-13/h6-9,11,14,16-17,21-24H,5,10H2,1-4H3/b7-6+/t11-,14-,16?,17+,18?,19-/m0/s1

  • Inchikey: ZMOXNUGOJSHBRR-FSXCLDGXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H28O6

  • Molecular weight: 352.40

  • Monoisotopic mass: 352.18858861

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