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ScientificNameLabel
Ethylstearate
PHCD compound ID : 559
Chemical Names :
Ethyl stearate , Ethyl octadecanoate , Ethylstearate
Molecular Formula : C20H40O2
Molecular Weight : 312.302831
More Details :
Names & Synonyms: ethyl octadecanoate , octadecanoic acid ethyl ester , stearic acid ethyl ester
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC
InChi : InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
InChi Key : InChIKey=MVLVMROFTAUDAG-UHFFFAOYSA-N
PubChem ID : 8122
Rotatable bond count : 18 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.666362
Hydrogen bond donor count : 0 Electric dipole moment : 1.662
XLogP : 9.452 VDW volume : 369.420146
Molecular weight : 312.302831 HOMO-LUMO gap : 11.885000
Herb list :
Refrences & Litretures:
  
34.      Journal:'J Sci Food Agric'      Year:'2014'      Volume:'94'      Page:'2179'      DOI:'10.1002/jsfa.6533'      Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
432.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'191'      DOI:'10.1080/10412905.2003.9712109'      Title:'Volatile Constituents of the Leaves of Ziziphus spinachristi (LmW) illd. from Bushehr, Iran'
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
545.      Journal:'Plant Foods Hum Nutr'      Year:'2011'      Volume:'66'      Page:'261'      DOI:'10.1007/s11130-011-0248-y'      Title:'Comparative Study on the Chemical Composition, Antioxidant Properties and Hypoglycaemic Activities of Two Capsicum annuum L. Cultivars (Acuminatum small and Cerasiferum)'
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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