2,4-Dihydroxy-3-[(1R,6R)-6-Isopropenyl-3-Methyl-2-Cyclohexen-1-Yl]-6-Pentylbenzoic Acid

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Properties Simple | Detailed

Formula C22H30O4
IUPAC Name 2,4-dihydroxy-3-[(1r,6r)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-6-pentyl-benzoic acid
Molecular Mass 358.471 g·mol−1
Heat of Formation -808.9 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 461.02 Å 3
Surface Area 379.77 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dihydroxy-3-[(1r,6r)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-6-pentyl-benzoic acid
  • 2,4-dihydroxy-3-[(1r,6r)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-6-pentylbenzoic acid
  • 2,4-dihydroxy-3-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-6-pentyl-benzoic acid
  • 2,4-dihydroxy-3-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-6-pentylbenzoic acid
  • 3-p-mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid
  • 6-amyl-2,4-dihydroxy-3-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]benzoic acid
  • cannabidiolic acid
  • lmpk02000046
CAS Number(s)
  • 1244-58-2
InChIKey WVOLTBSCXRRQFR-DLBZAZTESA-N
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