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ScientificNameLabel
Farnecyl acetate
PHCD compound ID : 1119
Chemical Names :
(E,E)-Farnesyl acetate , (E), (E)-farnesyl acetate , (2E,6E)-Farnesyl acetate , Farnecyl acetate , trans,trans-Farnesyl acetate
Molecular Formula : C17H28O2
Molecular Weight : 264.20893
More Details :
Names & Synonyms: [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate , acetic acid [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ester , [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] ethanoate
Smiles: C/C(=C\CC/C(=C/COC(=O)C)/C)/CCC=C(C)C
InChi : InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
InChi Key : InChIKey=ZGIGZINMAOQWLX-NCZFFCEISA-N
PubChem ID : 638500
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.780391
Hydrogen bond donor count : 0 Electric dipole moment : 1.645
XLogP : 5.086 VDW volume : 309.622816
Molecular weight : 264.20893 HOMO-LUMO gap : 9.957000
Herb list :
Refrences & Litretures:
  
114.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'207'      DOI:''      Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
178.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'262'      DOI:'10.1080/10412905.2004.9698716'      Title:'Comparative Investigation of the Essential Oils of Achillea talagonica Boiss. and A. millefolium, Chemical Composition and Immunological Studies'
255.      Journal:'chemija'      Year:'2009'      Volume:'20'      Page:'190'      DOI:''      Title:'Analysis of the chemical composition of fower essential oils from Arnica montana of Lithuanian origin'
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
773.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2012'      Volume:'9'      Page:'359'      DOI:'10.1002/cbdv.201100326'      Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
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