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3-methoxy-3-epiradicinol

  • Formula: C13H16O5

  • Molecular weight: 252.26

  • Smiles: CC=CC1=CC2=C(C(C(C(O2)C)O)OC)C(=O)O1

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3-methoxy-3-epiradicinol

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

  • Mycotoxin name: 3-methoxy-3-epiradicinol

  • First synonym: 3-methoxy-3-epiradicinol

  • Synonyms: 3-methoxy-3-epiradicinol,3-Methoxy-3-epi-radicinol

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Structure

  • Smiles: CC=CC1=CC2=C(C(C(C(O2)C)O)OC)C(=O)O1

  • Isomeric smiles: C/C=C/C1=CC2=C([C@H]([C@H]([C@@H](O2)C)O)OC)C(=O)O1

  • Inchi: InChI=1S/C13H16O5/c1-4-5-8-6-9-10(13(15)18-8)12(16-3)11(14)7(2)17-9/h4-7,11-12,14H,1-3H3/b5-4+/t7-,11-,12+/m0/s1

  • Inchikey: XIDPIFZLSYYVFQ-XDRZULNYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C13H16O5

  • Molecular weight: 252.26

  • Monoisotopic mass: 252.09977361

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