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oxysporidinone

  • Formula: C28H43NO6

  • Molecular weight: 489.60

  • Smiles: CCC(C)CC(C)C=C(C)C1C(CCC(O1)C2=C(C(=CN(C2=O)C)C3(CCC(=O)CC3O)O)O)C

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oxysporidinone

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

  • Mycotoxin name: oxysporidinone

  • First synonym: (-)-oxysporidinone

  • Synonyms: Oxysporidinone,184871-55-4,6-epi-oxysporidinone,Oxysporidinone_130003,(E)-5-(1,2-Dihydroxy-4-oxocyclohexyl)-3-(6-(4,6-dimethyloct-2-en-2-yl)-5-methyltetrahydro-2H-pyran-2-yl)-4-hydroxy-1-methylpyridin-2(1H)-one,2(1H)-Pyridinone, 5-(1,2-dihydroxy-4-oxocyclohexyl)-4-hydroxy-1-methyl-3-(tetrahydro-5-methyl-6-((1E)-1,3,5-trimethyl-1-heptenyl)-2H-pyran-2-yl)-, ( )-

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Structure

  • Smiles: CCC(C)CC(C)C=C(C)C1C(CCC(O1)C2=C(C(=CN(C2=O)C)C3(CCC(=O)CC3O)O)O)C

  • Isomeric smiles: CCC(C)CC(C)/C=C(\C)/C1C(CCC(O1)C2=C(C(=CN(C2=O)C)C3(CCC(=O)CC3O)O)O)C

  • Inchi: InChI=1S/C28H43NO6/c1-7-16(2)12-17(3)13-19(5)26-18(4)8-9-22(35-26)24-25(32)21(15-29(6)27(24)33)28(34)11-10-20(30)14-23(28)31/h13,15-18,22-23,26,31-32,34H,7-12,14H2,1-6H3/b19-13+

  • Inchikey: CYNJYGDSSURTLH-CPNJWEJPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H43NO6

  • Molecular weight: 489.60

  • Monoisotopic mass: 489.30903809

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