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(5aS,6S,9R,9aR)-C3-Cannabielsoin
PHCD compound ID : 3514
Chemical Names :
(5aS,6S,9R,9aR)-C3-Cannabielsoin
Molecular Formula : C19H26O3
Molecular Weight : 302.188195
More Details :
Names & Synonyms:
Smiles: CCCc1cc(O)c2c(c1)O[C@H]1[C@@H]2[C@@H](CC[C@]1(C)O)C(=C)C
InChi : InChI=1S/C19H26O3/c1-5-6-12-9-14(20)17-15(10-12)22-18-16(17)13(11(2)3)7-8-19(18,4)21/h9-10,13,16,18,20-21H,2,5-8H2,1,3-4H3/t13-,16+,18-,19-/m0/s1
InChi Key : InChIKey=SMXSKQNEQWKRKO-BIGGFVEDSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.859378
Hydrogen bond donor count : 2 Electric dipole moment : 2.539
XLogP : 3.486 VDW volume : 305.035636
Molecular weight : 302.188195 HOMO-LUMO gap : 9.137000
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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