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1-ethoxy-6-hydroxy-8-methoxy-3,5-dimethylisochroman

  • Formula: C14H20O4

  • Molecular weight: 252.31

  • Smiles: CCOC1C2=C(C=C(C(=C2CC(O1)C)C)O)OC

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1-ethoxy-6-hydroxy-8-methoxy-3,5-dimethylisochroman

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

  • Mycotoxin name: 1-ethoxy-6-hydroxy-8-methoxy-3,5-dimethylisochroman

  • First synonym: Chembl470050

  • Synonyms: CHEMBL470050,1-ethoxy-6-hydroxy-8-methoxy-3,5-dimethylisochroman

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Structure

  • Smiles: CCOC1C2=C(C=C(C(=C2CC(O1)C)C)O)OC

  • Isomeric smiles: CCOC1C2=C(C=C(C(=C2C[C@@H](O1)C)C)O)OC

  • Inchi: InChI=1S/C14H20O4/c1-5-17-14-13-10(6-8(2)18-14)9(3)11(15)7-12(13)16-4/h7-8,14-15H,5-6H2,1-4H3/t8-,14?/m0/s1

  • Inchikey: CLAXJTXPHPPOCK-BVVIDWAXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H20O4

  • Molecular weight: 252.31

  • Monoisotopic mass: 252.13615911

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