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Phomadecalin a

  • Formula: C15H20O3

  • Molecular weight: 248.32

  • Smiles: CC1CC=CC2=CC(C3(C(C12C)O3)C(=C)CO)O

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Phomadecalin a

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

Names

  • Mycotoxin name: Phomadecalin a

  • First synonym: Phomadecalin a

  • Synonyms: Phomadecalin A,CHEMBL513546

Identifiers / External links

Structure

  • Smiles: CC1CC=CC2=CC(C3(C(C12C)O3)C(=C)CO)O

  • Isomeric smiles: C[C@H]1CC=CC2=C[C@H]([C@]3([C@@H]([C@]12C)O3)C(=C)CO)O

  • Inchi: InChI=1S/C15H20O3/c1-9-5-4-6-11-7-12(17)15(10(2)8-16)13(18-15)14(9,11)3/h4,6-7,9,12-13,16-17H,2,5,8H2,1,3H3/t9-,12+,13+,14+,15-/m0/s1

  • Inchikey: QINRUZADLMGSLB-BGJHODNPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20O3

  • Molecular weight: 248.32

  • Monoisotopic mass: 248.1412445

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