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ScientificNameLabel
Cannabidivarinic acid
PHCD compound ID : 3486
Chemical Names :
Cannabidivarinic acid
Molecular Formula : C20H26O4
Molecular Weight : 330.183109
More Details :
Names & Synonyms: 2,4-dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-6-propyl-benzoic acid , 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-6-propylbenzoic acid , 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-propylbenzoic acid , 3-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-2,4-bis(oxidanyl)-6-propyl-benzoic acid
Smiles: CCCc1cc(O)c(c(c1C(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C
InChi : InChI=1S/C20H26O4/c1-5-6-13-10-16(21)18(19(22)17(13)20(23)24)15-9-12(4)7-8-14(15)11(2)3/h9-10,14-15,21-22H,2,5-8H2,1,3-4H3,(H,23,24)/t14-,15+/m0/s1
InChi Key : InChIKey=CZXWOKHVLNYAHI-LSDHHAIUSA-N
PubChem ID : 59444387
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.945379
Hydrogen bond donor count : 3 Electric dipole moment : 0.973
XLogP : 4.982 VDW volume : 338.205388
Molecular weight : 330.183109 HOMO-LUMO gap : 8.491000
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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