3-Hydroxy-2-[(1S,6S)-6-Isopropenyl-3-Methyl-2-Cyclohexen-1-Yl]-5-Pentylphenyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C27H38O8
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-[(1s,6s)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-phenoxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 490.586 g·mol−1
Heat of Formation -1484.2 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 615.96 Å 3
Surface Area 475.73 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-[(1s,6s)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentyl-phenoxy]oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-[(1s,6s)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-5-pentyl-phenoxy]tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-[(1s,6s)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-5-pentylphenoxy]-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[5-amyl-3-hydroxy-2-[(1s,6s)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • 6-oxo-cbd glucoside
  • 6-oxocannabidiol glucoside
  • beta-d-glucopyranosiduronic acid, 3-hydroxy-2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentylphenyl, (1s-trans)-
CAS Number(s)
  • 68170-65-0
InChIKey DTPDUSBNMCFKKQ-OVFIKLTOSA-N
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