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Solanapyrone a

  • Formula: C18H22O4

  • Molecular weight: 302.40

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

  • Type: Naphthalene

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Solanapyrone a

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

  • Mycotoxin name: Solanapyrone a

  • First synonym: Solanapyrone a

  • Synonyms: Solanapyrone A,(-)-Solanapyrone A,88899-61-0,4-Methoxy-6-((1R,2S,4aR,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)-2-oxo-2H-pyran-3-carboxaldehyde,6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-methoxy-2-oxopyran-3-carbaldehyde,4-methoxy-6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-oxo-2H-pyran-3-carbaldehyde,CHEBI:38229,2H-Pyran-3-carboxaldehyde, 4-methoxy-6-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)-2-oxo-, (1R-(1alpha,2beta,4aalpha,8aalpha))-,C20201,Q27117415,2H-Pyran-3-carboxaldehyde, 4-methoxy-6-((1R,2S,4aR,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)-2-oxo-,4-Methoxy-6-((1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxo-2H-pyran-3-carboxaldehyde

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Structure

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

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

  • Inchi: InChI=1S/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m0/s1

  • Inchikey: AWQLNKJBXASXDU-SFDCBXKLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H22O4

  • Molecular weight: 302.40

  • Monoisotopic mass: 302.15180918

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