CH₃CH₃

CBDA

Chemistry

56 atoms · Conformer computed and published by PubChem.
Formula
C22H30O4
Molar mass
358.5 g/mol
IUPAC name
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
InChIKey
WVOLTBSCXRRQFR-DLBZAZTESA-N

Chemistry from PubChem CID 160570.

Also known as

  • Cannabidiolic acid
  • 1244-58-2
  • FJX8O3OJCD
  • DTXSID80154318
  • 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
  • 3-p-Mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid
  • CHEBI:3359
  • 2,4-dihydroxy-3-((1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentylbenzoic acid

Stereoisomers

4 distinct stereoisomers are registered for this structure.

  • Cannabidiolic acid this area CID 160570
  • 2,4-dihydroxy-3-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid CID 25202859
  • 2,4-dihydroxy-3-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid CID 45783235
  • 2,4-dihydroxy-3-[(1R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid CID 124312293
  • 2,4-Dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentylbenzoic acid mixture CID 4486399

Attribution

  • Portrait of Raphael Mechoulam
    Raphael Mechoulam — isolated it, 1965

    Cannabidiolic acid, isolated and structurally characterised with Yechiel Gaoni in 'Hashish. IV', Tetrahedron 21:1223-1229, alongside cannabinolic and cannabigerolic acids.

    source

  • Portrait of Yehiel Gaoni
    Yehiel Gaoni — isolated it, 1965

    Mechoulam R, Gaoni Y, 'Hashish IV: the isolation and structure of cannabinolic, cannabidiolic and cannabigerolic acids', Tetrahedron 21:1223 (1965). The same paper covers cannabinolic and cannabigerolic acid, which have no area on this site.

    source

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