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ScientificNameLabel
caryophyllenol-11
PHCD compound ID : 5325
Chemical Names :
caryophyllenol-11
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1R,3E,5R,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-3-en-5-ol , (1R,3E,5R,9S)-4,11,11-trimethyl-8-methylene-5-bicyclo[7.2.0]undec-3-enol , (1R,3E,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol , (1R,3E,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol , (1R,3E,5R,9S)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-3-en-5-ol
Smiles: C=C1CC[C@@H](O)C(=CC[C@@H]2[C@@H]1CC2(C)C)C
InChi : InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-14,16H,1,6-9H2,2-4H3/t12-,13-,14-/m1/s1
InChi Key : InChIKey=DWUYGFWOANEJRE-MGPQQGTHSA-N
PubChem ID : 6450454
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.142625
Hydrogen bond donor count : 1 Electric dipole moment : 1.210
XLogP : 4.014 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.197000
Herb list :
Refrences & Litretures:
  
865.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'2630'      DOI:'10.1021/jf048244g'      Title:'Chemical Composition of Juniperus communis L. Fruits Supercritical CO2 Extracts: Dependence on Pressure and Extraction Time'
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