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6-o-methylpapyracon c

  • Formula: C15H22O5

  • Molecular weight: 282.33

  • Smiles: CC(C=C1CC(C23CC2C(OC3(C1=O)OC)(C)C)O)O

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6-o-methylpapyracon c

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

  • Mycotoxin name: 6-o-methylpapyracon c

  • First synonym: None

  • Synonyms: 6-O-Methylpapyracon C,(1Ar,3aS,5E,7S,7aS)-7-hydroxy-5-[(2S)-2-hydroxypropylidene]-3a-methoxy-2,2-dimethyl-1,1a,6,7-tetrahydrocyclopropa[c][1]benzofuran-4-one,(1aR,3aS,5E,7S,7aS)-7-hydroxy-5-((2S)-2-hydroxypropylidene)-3a-methoxy-2,2-dimethyl-1,1a,6,7-tetrahydrocyclopropa(c)(1)benzofuran-4-one,CHEBI:198725,(1aR,3aS,5E,7S,7aS)-7-hydroxy-5-[(2S)-2-hydroxypropylidene]-3a-methoxy-2,2-dimethyl-1,1a,6,7-tetrahydrocyclopropa[c][1]benzouran-4-one,177569-32-3

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Structure

  • Smiles: CC(C=C1CC(C23CC2C(OC3(C1=O)OC)(C)C)O)O

  • Isomeric smiles: C[C@@H](/C=C/1\C[C@@H]([C@]23C[C@H]2C(O[C@@]3(C1=O)OC)(C)C)O)O

  • Inchi: InChI=1S/C15H22O5/c1-8(16)5-9-6-11(17)14-7-10(14)13(2,3)20-15(14,19-4)12(9)18/h5,8,10-11,16-17H,6-7H2,1-4H3/b9-5+/t8-,10-,11-,14-,15+/m0/s1

  • Inchikey: HRGQUZFZALCQPL-UGBLBMCTSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H22O5

  • Molecular weight: 282.33

  • Monoisotopic mass: 282.1467238

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