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octyl ferulate
PHCD compound ID : 5548
Chemical Names :
octyl ferulate
Molecular Formula : C18H26O4
Molecular Weight : 306.183109
More Details :
Names & Synonyms: octyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate , (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid octyl ester , octyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate , octyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate , octyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate , (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid octyl ester
Smiles: CCCCCCCCOC(=O)/C=C/c1ccc(c(c1)OC)O
InChi : InChI=1S/C18H26O4/c1-3-4-5-6-7-8-13-22-18(20)12-10-15-9-11-16(19)17(14-15)21-2/h9-12,14,19H,3-8,13H2,1-2H3/b12-10+
InChi Key : InChIKey=PBTJWDSMUBVOKC-ZRDIBKRKSA-N
PubChem ID : 15875260
Rotatable bond count : 11 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.757869
Hydrogen bond donor count : 1 Electric dipole moment : 1.553
XLogP : 4.727 VDW volume : 318.606337
Molecular weight : 306.183109 HOMO-LUMO gap : 7.939000
Herb list :
Refrences & Litretures:
  
936.      Journal:'Journal of Asian Natural Products Research'      Year:'2010'      Volume:'12'      Page:'286'      DOI:'10.1080/10286021003743861'      Title:'Three new compounds from Arnebia euchroma'
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