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Solanapyrone c

  • Formula: C19H25NO4

  • Molecular weight: 331.40

  • Smiles: CC1C=CC2CCCCC2C1C3=CC(=C(C(=O)O3)C=O)NCCO

  • Type: Naphthalene

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Solanapyrone c

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

Names

  • Mycotoxin name: Solanapyrone c

  • First synonym: Solanapyrone c

  • Synonyms: solanapyrone C,88899-59-6,6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-(2-hydroxyethylamino)-2-oxopyran-3-carbaldehyde,4-[(2-hydroxyethyl)amino]-6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-oxo-2H-pyran-3-carbaldehyde,6-((1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-4-(2-hydroxyethylamino)-2-oxo-pyran-3-carbaldehyde,CHEBI:38239,DTXSID501008563,Q27117419,4-[(2-Hydroxyethyl)amino]-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carbaldehyde

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Structure

  • Smiles: CC1C=CC2CCCCC2C1C3=CC(=C(C(=O)O3)C=O)NCCO

  • Isomeric smiles: C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C3=CC(=C(C(=O)O3)C=O)NCCO

  • Inchi: InChI=1S/C19H25NO4/c1-12-6-7-13-4-2-3-5-14(13)18(12)17-10-16(20-8-9-21)15(11-22)19(23)24-17/h6-7,10-14,18,20-21H,2-5,8-9H2,1H3/t12-,13+,14+,18+/m0/s1

  • Inchikey: FDLXGUBSZCJEGE-HNSFDTNUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H25NO4

  • Molecular weight: 331.40

  • Monoisotopic mass: 331.17835828

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