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ScientificNameLabel
Cannabicitran
PHCD compound ID : 3529
Chemical Names :
Cannabicitran
Molecular Formula : C21H30O2
Molecular Weight : 314.22458
More Details :
Names & Synonyms:
Smiles: CCCCCc1cc2O[C@]3(C)CC[C@@H]4[C@@H](c2c(c1)OC4(C)C)C3
InChi : InChI=1S/C21H30O2/c1-5-6-7-8-14-11-17-19-15-13-21(4,23-18(19)12-14)10-9-16(15)20(2,3)22-17/h11-12,15-16H,5-10,13H2,1-4H3/t15-,16+,21+/m0/s1
InChi Key : InChIKey=IXJXRDCCQRZSDV-GCKMJXCFSA-N
PubChem ID : 186149
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.468805
Hydrogen bond donor count : 0 Electric dipole moment : 4.016
XLogP : 5.747 VDW volume : 321.117378
Molecular weight : 314.22458 HOMO-LUMO gap : 9.000000
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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