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ScientificNameLabel
(-)-Cannabidiol
PHCD compound ID : 3483
Chemical Names :
(-)-Cannabidiol
Molecular Formula : C21H30O2
Molecular Weight : 314.22458
More Details :
Names & Synonyms: 2-[(1S,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol , 2-[(1S,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol , 2-[(1S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol , 2-[(1S,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol , 5-amyl-2-[(1S,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]resorcinol
Smiles: CCCCCc1cc(O)c(c(c1)O)[C@H]1C=C(C)CC[C@H]1C(=C)C
InChi : InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18-/m0/s1
InChi Key : InChIKey=QHMBSVQNZZTUGM-ROUUACIJSA-N
PubChem ID : 12302390
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.851370
Hydrogen bond donor count : 2 Electric dipole moment : 1.858
XLogP : 6.158 VDW volume : 340.557378
Molecular weight : 314.22458 HOMO-LUMO gap : 9.231000
Herb list :
Refrences & Litretures:
  
489.      Journal:'Life Sciences'      Year:'2005'      Volume:'78'      Page:'539'      DOI:'10.1016/j.lfs.2005.09.011'      Title:'Chemical constituents of marijuana: The complex mixture of natural cannabinoids'
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