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ScientificNameLabel
1-O-(9Z,12Z-octadecadienoyl)-2-O-(12Z-octadecadienoyl)glycerol
PHCD compound ID : 1305
Chemical Names :
1-O-(9Z,12Z-octadecadienoyl)-2-O-(12Z-octadecadienoyl)glycerol
Molecular Formula : C39H70O5
Molecular Weight : 618.522325
More Details :
Names & Synonyms:
Smiles: CCCCC/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CO
InChi : InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17,19,37,40H,3-10,15-16,18,20-36H2,1-2H3/b13-11-,14-12-,19-17-/t37-/m0/s1
InChi Key : InChIKey=OULNJSMIABGYJQ-QKSSKRPYSA-N
PubChem ID :
Rotatable bond count : 35 Rule of five : 2
Hydrogen bond acceptor count : 5 Ionization potential : 9.305787
Hydrogen bond donor count : 1 Electric dipole moment : 2.620
XLogP : 15.817 VDW volume : 713.868699
Molecular weight : 618.522325 HOMO-LUMO gap : 10.072000
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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