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ScientificNameLabel
Tetrahydrocannabinolic acid A
PHCD compound ID : 3499
Chemical Names :
Tetrahydrocannabinolic acid A
Molecular Formula : C22H30O4
Molecular Weight : 358.214409
More Details :
Names & Synonyms: (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid , (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-2-carboxylic acid , (6aR,10aR)-6,6,9-trimethyl-1-oxidanyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid , (6aR,10aR)-3-amyl-1-hydroxy-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
Smiles: CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(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/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1
InChi Key : InChIKey=UCONUSSAWGCZMV-HZPDHXFCSA-N
PubChem ID : 98523
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 9.016773
Hydrogen bond donor count : 2 Electric dipole moment : 2.599
XLogP : 5.791 VDW volume : 363.077358
Molecular weight : 358.214409 HOMO-LUMO gap : 8.682000
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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