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Phomadecalin b

  • Formula: C17H22O5

  • Molecular weight: 306.40

  • Smiles: CC1C(C=CC2=CC(C3(C(C12C)O3)C(=C)COC(=O)C)O)O

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Phomadecalin b

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

Names

  • Mycotoxin name: Phomadecalin b

  • First synonym: Phomadecalin b

  • Synonyms: phomadecalin B,CHEMBL448622

Identifiers / External links

Structure

  • Smiles: CC1C(C=CC2=CC(C3(C(C12C)O3)C(=C)COC(=O)C)O)O

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

  • Inchi: InChI=1S/C17H22O5/c1-9(8-21-11(3)18)17-14(20)7-12-5-6-13(19)10(2)16(12,4)15(17)22-17/h5-7,10,13-15,19-20H,1,8H2,2-4H3/t10-,13+,14+,15+,16+,17-/m0/s1

  • Inchikey: YSHGMEBFNCQBIY-GPJUBECRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H22O5

  • Molecular weight: 306.40

  • Monoisotopic mass: 306.1467238

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