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ScientificNameLabel
caryophylladienol
PHCD compound ID : 411
Chemical Names :
caryophylladienol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 11,11-dimethyl-4,8-dimethylene-bicyclo[7.2.0]undecan-6-ol , 11,11-dimethyl-4,8-dimethylene-6-bicyclo[7.2.0]undecanol , 11,11-dimethyl-4,8-dimethylidenebicyclo[7.2.0]undecan-6-ol , 11,11-dimethyl-4,8-dimethylidene-bicyclo[7.2.0]undecan-6-ol
Smiles: C=C1CC[C@@H]2[C@@H](C(=C)C[C@@H](C1)O)CC2(C)C
InChi : InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14-/m1/s1
InChi Key : InChIKey=ASLIKDGYUZGYOV-MGPQQGTHSA-N
PubChem ID : 91747928
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.448796
Hydrogen bond donor count : 1 Electric dipole moment : 2.177
XLogP : 4.004 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.599000
Herb list :
Refrences & Litretures:
  
23.      Journal:'J. Essent. Oil Res'      Year:'2000'      Volume:'12'      Page:'333'      DOI:'10.1080/10412905.2000.9699530'      Title:'Essential Oil Composition of Eucalyptus camaldulensis Dehn. from Mozambique'
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