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1,24,tetracosanediol diferulate
PHCD compound ID : 1318
Chemical Names :
1,24,tetracosanediol diferulate
Molecular Formula : C44H66O8
Molecular Weight : 722.475769
More Details :
Names & Synonyms: 24-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate , (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 24-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]tetracosyl ester , 24-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxytetracosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate , 24-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxytetracosyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate , (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid 24-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxytetracosyl ester
Smiles: COc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
InChi : InChI=1S/C44H66O8/c1-49-41-35-37(25-29-39(41)45)27-31-43(47)51-33-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-34-52-44(48)32-28-38-26-30-40(46)42(36-38)50-2/h25-32,35-36,45-46H,3-24,33-34H2,1-2H3/b31-27+,32-28+
InChi Key : InChIKey=JVYGWGTXGGTEAZ-WWQQVGJXSA-N
PubChem ID : 11967021
Rotatable bond count : 33 Rule of five : 2
Hydrogen bond acceptor count : 8 Ionization potential : 8.740086
Hydrogen bond donor count : 2 Electric dipole moment : 3.710
XLogP : 13.666 VDW volume : 767.024091
Molecular weight : 722.475769 HOMO-LUMO gap : 8.039000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
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