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ScientificNameLabel
(-)-Delta8-trans-(6aR,10aR)-Tetrahydrocannabinolic acid A
PHCD compound ID : 3508
Chemical Names :
(-)-Delta8-trans-(6aR,10aR)-Tetrahydrocannabinolic acid A
Molecular Formula : C22H30O4
Molecular Weight : 358.214409
More Details :
Names & Synonyms:
Smiles: CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)CC(=CC3)C
InChi : InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h9,12,15-16,23H,5-8,10-11H2,1-4H3,(H,24,25)/t15-,16-/m1/s1
InChi Key : InChIKey=YKKHSYLGQXKVMO-HZPDHXFCSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 9.180835
Hydrogen bond donor count : 2 Electric dipole moment : 1.855
XLogP : 5.681 VDW volume : 363.077358
Molecular weight : 358.214409 HOMO-LUMO gap : 8.802000
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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