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8alpha-hydroxysambucoin

  • Formula: C15H22O4

  • Molecular weight: 266.33

  • Smiles: CC1=CC2C(CC1O)(C3(CCC(=O)C3(CO2)O)C)C

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8alpha-hydroxysambucoin

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

  • Mycotoxin name: 8alpha-hydroxysambucoin

  • First synonym: 8alpha-hydroxysambucoin

  • Synonyms: 8alpha-hydroxysambucoin,CHEMBL518270

Identifiers / External links

Structure

  • Smiles: CC1=CC2C(CC1O)(C3(CCC(=O)C3(CO2)O)C)C

  • Isomeric smiles: CC1=C[C@H]2[C@](C[C@@H]1O)([C@]3(CCC(=O)[C@]3(CO2)O)C)C

  • Inchi: InChI=1S/C15H22O4/c1-9-6-12-13(2,7-10(9)16)14(3)5-4-11(17)15(14,18)8-19-12/h6,10,12,16,18H,4-5,7-8H2,1-3H3/t10-,12-,13-,14+,15-/m0/s1

  • Inchikey: PYOQCUKYALILJL-RCXZEQIESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H22O4

  • Molecular weight: 266.33

  • Monoisotopic mass: 266.15180918

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