1-O-{[(6Ar,10Ar)-1-Hydroxy-6,6-Dimethyl-3-Pentyl-6A,7,8,10A-Tetrahydro-6H-Benzo[C]Chromen-9-Yl]Carbonyl}-β-D-Glucopyranuronic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H36O10
IUPAC Name (2s,3r,4s,5r,6s)-6-[(6ar,10ar)-6,6-dimethyl-1-oxido-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carbonyl]oxy-3,4,5-trioxido-tetrahydropyran-2-ide-2-carboxylate
Molecular Mass 520.569 g·mol−1
Heat of Formation -1848.1 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 613.04 Å 3
Surface Area 522.22 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[(6ar,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carbonyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[(6ar,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[(6ar,10ar)-3-amyl-1-hydroxy-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carbonyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[(6ar,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-9-yl]-oxomethoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[(6ar,10ar)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-9-yl]carbonyloxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • beta-d-glucopyranuronic acid, 1-(6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6h-dibenzo(b,d)pyran-9-carboxylate), (6ar-trans)-
  • delta(9)-tetrahydrocannabinol-11-oic acid glucuronide
  • thc-11-oic acid glucuronide
CAS Number(s)
  • 76448-35-6
InChIKey UWXZAZRSQQLWKH-XUEDFLTMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O