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ScientificNameLabel
Caryophyllenol-II
PHCD compound ID : 951
Chemical Names :
Caryophyllenol-II
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1R,3Z,5R,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-3-en-5-ol , (1R,3Z,5R,9S)-4,11,11-trimethyl-8-methylene-5-bicyclo[7.2.0]undec-3-enol , (1R,3Z,5R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-ol , (1R,3Z,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/b11-5-/t12-,13-,14-/m1/s1
InChi Key : InChIKey=DWUYGFWOANEJRE-PUHLDHRLSA-N
PubChem ID : 6510283
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.463454
Hydrogen bond donor count : 1 Electric dipole moment : 1.880
XLogP : 4.014 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.435000
Herb list :
Refrences & Litretures:
  
77.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'1443'      DOI:''      Title:'Comparative Study of the Essential Oil Chemical Composition of Thymus Kotschyanus Boiss. & Hohen var. kotschyanus from Iran'
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