Skip Navigation Links
ScientificNameLabel
1-O-(9Z,12Z-octadecadienoyl)-3-O-(9Z-octadecanoyl)glycerol
PHCD compound ID : 1306
Chemical Names :
1-O-(9Z,12Z-octadecadienoyl)-3-O-(9Z-octadecanoyl)glycerol
Molecular Formula : C39H70O5
Molecular Weight : 618.522325
More Details :
Names & Synonyms:
Smiles: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O
InChi : InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40H,3-10,12,14-16,21-36H2,1-2H3/b13-11-,19-17-,20-18-/t37-/m1/s1
InChi Key : InChIKey=GREDRAMJRDQWEJ-VCAYUJMESA-N
PubChem ID :
Rotatable bond count : 35 Rule of five : 2
Hydrogen bond acceptor count : 5 Ionization potential : 9.483701
Hydrogen bond donor count : 1 Electric dipole moment : 2.118
XLogP : 15.817 VDW volume : 713.868699
Molecular weight : 618.522325 HOMO-LUMO gap : 10.373000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us