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ScientificNameLabel
Tetrahydrocannabinolic acid-C4
PHCD compound ID : 3502
Chemical Names :
Tetrahydrocannabinolic acid-C4
Molecular Formula : C21H28O4
Molecular Weight : 344.198759
More Details :
Names & Synonyms:
Smiles: CCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(CC3)C
InChi : InChI=1S/C21H28O4/c1-5-6-7-13-11-16-18(19(22)17(13)20(23)24)14-10-12(2)8-9-15(14)21(3,4)25-16/h10-11,14-15,22H,5-9H2,1-4H3,(H,23,24)/t14-,15-/m1/s1
InChi Key : InChIKey=TZFPIQSSTVIJTQ-HUUCEWRRSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 9.016167
Hydrogen bond donor count : 2 Electric dipole moment : 2.611
XLogP : 5.222 VDW volume : 345.781373
Molecular weight : 344.198759 HOMO-LUMO gap : 8.683000
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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