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8,5'-Diferulate
PHCD compound ID : 1033
Chemical Names :
8,5'-Diferulate
Molecular Formula : C20H18O8
Molecular Weight : 386.100168
More Details :
Names & Synonyms:
Smiles: COc1cc(/C=C/C(=O)O)cc(c1O)/C(=C\c1ccc(c(c1)OC)O)/C(=O)O
InChi : InChI=1S/C20H18O8/c1-27-16-9-11(3-5-15(16)21)8-14(20(25)26)13-7-12(4-6-18(22)23)10-17(28-2)19(13)24/h3-10,21,24H,1-2H3,(H,22,23)(H,25,26)/b6-4+,14-8+
InChi Key : InChIKey=DEPVSDIYICBTJE-SITOFEAGSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.910358
Hydrogen bond donor count : 4 Electric dipole moment : 3.053
XLogP : 1.314 VDW volume : 351.92046
Molecular weight : 386.100168 HOMO-LUMO gap : 7.780000
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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