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ScientificNameLabel
trans-verbenol ac
PHCD compound ID : 5391
Chemical Names :
trans-verbenol ac
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: (4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate , acetic acid (4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) ester , (4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) ethanoate
Smiles: CC(=O)O[C@H]1C=C(C)[C@H]2C[C@@H]1C2(C)C
InChi : InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1
InChi Key : InChIKey=OZBFUQLOVFXDNK-VWYCJHECSA-N
PubChem ID : 118088
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.473545
Hydrogen bond donor count : 0 Electric dipole moment : 2.397
XLogP : 2.887 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.225000
Herb list :
Refrences & Litretures:
  
889.      Journal:'Pharmacologyonline'      Year:'2018'      Volume:'1'      Page:'231'      DOI:''      Title:'Comparison of hormonal changes (NAA,IAA,GA3) of the composition of essential oil from Sambucus Ebulus leaf'
892.      Journal:'Tropical Journal of Pharmaceutical Research'      Year:'2014'      Volume:'13'      Page:'581'      DOI:'10.4314/tjpr.v13i4.14'      Title:'Effect of Phytohormones on the Composition of Sambucus ebulus Leaf Essential Oil'
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