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Rugulosone

  • Formula: C26H34O2

  • Molecular weight: 378.50

  • Smiles: CCC(=O)C(=C)C1C2(CC(=CC1(C(C(=C2)C)C(=CC3CC(=O)C=C3)C)C)C)C

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Rugulosone

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

Names

  • Mycotoxin name: Rugulosone

  • First synonym: Rugulosone

  • Synonyms: rugulosone,Regulosone,CHEMBL1080416

Identifiers / External links

Structure

  • Smiles: CCC(=O)C(=C)C1C2(CC(=CC1(C(C(=C2)C)C(=CC3CC(=O)C=C3)C)C)C)C

  • Isomeric smiles: CCC(=O)C(=C)[C@@H]1[C@@]2(CC(=C[C@]1([C@H](C(=C2)C)/C(=C\[C@H]3CC(=O)C=C3)/C)C)C)C

  • Inchi: InChI=1S/C26H34O2/c1-8-22(28)19(5)24-25(6)13-16(2)14-26(24,7)23(18(4)15-25)17(3)11-20-9-10-21(27)12-20/h9-11,14-15,20,23-24H,5,8,12-13H2,1-4,6-7H3/b17-11-/t20-,23-,24+,25+,26-/m0/s1

  • Inchikey: FMKMRACZTYQJQI-KDEQXIHZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H34O2

  • Molecular weight: 378.50

  • Monoisotopic mass: 378.255880323

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