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ScientificNameLabel
Caryophyllen (14-Hydroxy-9-EPI-
PHCD compound ID : 1076
Chemical Names :
Caryophyllen (14-Hydroxy-9-EPI-
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: [(1R,4Z,9R)-11,11-dimethyl-8-methylene-4-bicyclo[7.2.0]undec-4-enyl]methanol , [(1R,4Z,9R)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
Smiles: OCC1=CCCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C
InChi : InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6-/t13-,14+/m0/s1
InChi Key : InChIKey=MGIQTXDHQJGPEZ-PJWHXWNJSA-N
PubChem ID : 12300118
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.350275
Hydrogen bond donor count : 1 Electric dipole moment : 2.102
XLogP : 4.163 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.357000
Herb list :
Refrences & Litretures:
  
110.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'346'      DOI:'10.1080/0972060X.2013.813237'      Title:'Comparison of Essential Oil Composition in Dracocephalum moldavica in Greenhouse and Field'
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