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5,5'-Diferulate
PHCD compound ID : 1032
Chemical Names :
5,5'-Diferulate
Molecular Formula : C20H18O8
Molecular Weight : 386.100168
More Details :
Names & Synonyms:
Smiles: COc1cc(/C=C/C(=O)O)cc(c1O)c1cc(/C=C/C(=O)O)cc(c1O)OC
InChi : InChI=1S/C20H18O8/c1-27-15-9-11(3-5-17(21)22)7-13(19(15)25)14-8-12(4-6-18(23)24)10-16(28-2)20(14)26/h3-10,25-26H,1-2H3,(H,21,22)(H,23,24)/b5-3+,6-4+
InChi Key : InChIKey=LBQZVWQOPFFQJI-GGWOSOGESA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.893334
Hydrogen bond donor count : 4 Electric dipole moment : 3.909
XLogP : 1.314 VDW volume : 351.92046
Molecular weight : 386.100168 HOMO-LUMO gap : 7.890000
Herb list :
Refrences & Litretures:
  
107.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'166'      DOI:'10.1016/j.jfca.2009.08.015'      Title:'Characterization of polyphenols, lipids and dietary ?bre from almond skins (Amygdalus communis L.)'
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