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Monaphilone b

  • Formula: C20H28O4

  • Molecular weight: 332.40

  • Smiles: CCCCCC(=O)CC1CC2=C(COC(=C2)C=CC)C(=O)C1(C)O

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Monaphilone b

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

  • Mycotoxin name: Monaphilone b

  • First synonym: Monaphilone b

  • Synonyms: Monaphilone B

Identifiers / External links

Structure

  • Smiles: CCCCCC(=O)CC1CC2=C(COC(=C2)C=CC)C(=O)C1(C)O

  • Isomeric smiles: CCCCCC(=O)C[C@H]1CC2=C(COC(=C2)/C=C/C)C(=O)[C@]1(C)O

  • Inchi: InChI=1S/C20H28O4/c1-4-6-7-9-16(21)12-15-10-14-11-17(8-5-2)24-13-18(14)19(22)20(15,3)23/h5,8,11,15,23H,4,6-7,9-10,12-13H2,1-3H3/b8-5+/t15-,20-/m1/s1

  • Inchikey: CSEZJTMVEKOTTH-KRSZBIKMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H28O4

  • Molecular weight: 332.40

  • Monoisotopic mass: 332.19875937

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