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ScientificNameLabel
1-O-(9Z,12Z-octadecadienoyl)-3-O-nonadecadienoyl)glycerol
PHCD compound ID : 1304
Chemical Names :
1-O-(9Z,12Z-octadecadienoyl)-3-O-nonadecadienoyl)glycerol
Molecular Formula : C40H74O5
Molecular Weight : 634.553625
More Details :
Names & Synonyms:
Smiles: CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C/C/C=C\CCCCC)O
InChi : InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-37-38(41)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,38,41H,3-11,13,15-17,19,21-37H2,1-2H3/b14-12-,20-18+/t38-/m1/s1
InChi Key : InChIKey=PHVWLLRQGNSGAW-WDXLXKSWSA-N
PubChem ID :
Rotatable bond count : 37 Rule of five : 2
Hydrogen bond acceptor count : 5 Ionization potential : 9.403327
Hydrogen bond donor count : 1 Electric dipole moment : 2.231
XLogP : 16.902 VDW volume : 733.801142
Molecular weight : 634.553625 HOMO-LUMO gap : 10.408000
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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