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ScientificNameLabel
Fenchyl acetate exo
PHCD compound ID : 2842
Chemical Names :
Fenchyl acetate(exo) , Fenchyl acetate exo , Exo-fenchyle acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(2R)-1,3,3-trimethylnorbornan-2-yl] acetate , acetic acid [(3R)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl] ester , [(3R)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate , [(3R)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl] ethanoate , acetic acid [(2R)-1,3,3-trimethylnorbornan-2-yl] ester
Smiles: CC(=O)O[C@@H]1[C@]2(C)CC[C@H](C1(C)C)C2
InChi : InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m0/s1
InChi Key : InChIKey=JUWUWIGZUVEFQB-JBLDHEPKSA-N
PubChem ID : 6430689
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.286508
Hydrogen bond donor count : 0 Electric dipole moment : 2.098
XLogP : 3.052 VDW volume : 206.339352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.545000
Herb list :
Refrences & Litretures:
  
347.      Journal:'Flavour Fragr. J'      Year:'2009'      Volume:'24'      Page:'170'      DOI:'10.1002/ffj.1929'      Title:'Antioxidant and antimicrobial activities of essential oil and extracts of fennel (Foeniculum vulgare Mill.) seeds from Pakistan'
348.      Journal:'Pharmacological Research'      Year:'2007'      Volume:'56'      Page:'254'      DOI:'10.1016/j.phrs.2007.07.002'      Title:'Protective effect of Foeniculum vulgare essential oil and anethole in an experimental model of thrombosis'
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
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