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ScientificNameLabel
Tetrahydrocannabinol-C4
PHCD compound ID : 3503
Chemical Names :
Tetrahydrocannabinol-C4
Molecular Formula : C20H28O2
Molecular Weight : 300.20893
More Details :
Names & Synonyms: (6aR,10aR)-3-butyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol , (6aR,10aR)-3-butyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-1-ol
Smiles: CCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C
InChi : InChI=1S/C20H28O2/c1-5-6-7-14-11-17(21)19-15-10-13(2)8-9-16(15)20(3,4)22-18(19)12-14/h10-12,15-16,21H,5-9H2,1-4H3/t15-,16-/m1/s1
InChi Key : InChIKey=QHCQSGYWGBDSIY-HZPDHXFCSA-N
PubChem ID : 6453891
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.678336
Hydrogen bond donor count : 1 Electric dipole moment : 0.902
XLogP : 5.26 VDW volume : 313.541394
Molecular weight : 300.20893 HOMO-LUMO gap : 9.161000
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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