Skip Navigation Links
ScientificNameLabel
Tetrahydrocannabinolic acid B
PHCD compound ID : 3500
Chemical Names :
Tetrahydrocannabinolic acid B
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-4-carboxylic acid , (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-4-carboxylic acid , (6aR,10aR)-6,6,9-trimethyl-1-oxidanyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-4-carboxylic acid , (6aR,10aR)-3-amyl-1-hydroxy-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-4-carboxylic acid
Smiles: CCCCCc1cc(O)c2c(c1C(=O)O)OC([C@H]1[C@H]2C=C(C)CC1)(C)C
InChi : InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17(23)19-15-11-13(2)9-10-16(15)22(3,4)26-20(19)18(14)21(24)25/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1
InChi Key : InChIKey=VITZNDKHSIWPSR-HZPDHXFCSA-N
PubChem ID : 46889976
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.997417
Hydrogen bond donor count : 2 Electric dipole moment : 2.537
XLogP : 5.362 VDW volume : 363.077358
Molecular weight : 358.214409 HOMO-LUMO gap : 9.035000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us