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ScientificNameLabel
Stearidonic acid
PHCD compound ID : 4353
Chemical Names :
Stearidonic acid
Molecular Formula : C18H28O2
Molecular Weight : 276.20893
More Details :
Names & Synonyms: (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid
Smiles: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O
InChi : InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-
InChi Key : InChIKey=JIWBIWFOSCKQMA-LTKCOYKYSA-N
PubChem ID : 5312508
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.510411
Hydrogen bond donor count : 1 Electric dipole moment : 1.785
XLogP : 7.211 VDW volume : 324.282342
Molecular weight : 276.20893 HOMO-LUMO gap : 10.391000
Herb list :
Refrences & Litretures:
  
643.      Journal:'Korean J. Chem. Eng'      Year:'2014'      Volume:'31'      Page:'1632'      DOI:'10.1007/s11814-014-0118-z'      Title:'Supercritical extraction of essential oil from Echium amoenum seed: Experimental, modeling and genetic algorithm parameter estimation'
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