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ScientificNameLabel
Eleostearic
PHCD compound ID : 1826
Chemical Names :
Eleostearic
Molecular Formula : C18H30O2
Molecular Weight : 278.22458
More Details :
Names & Synonyms: (9Z,11E,13E)-octadeca-9,11,13-trienoic acid
Smiles: CCCC/C=C/C=C/C=C\CCCCCCCC(=O)O
InChi : InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-
InChi Key : InChIKey=CUXYLFPMQMFGPL-WPOADVJFSA-N
PubChem ID : 5281115
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 8.592508
Hydrogen bond donor count : 1 Electric dipole moment : 1.835
XLogP : 7.304 VDW volume : 326.918801
Molecular weight : 278.22458 HOMO-LUMO gap : 8.380000
Herb list :
Refrences & Litretures:
  
211.      Journal:'Chemistry of Natural Compounds'      Year:'1994'      Volume:'30'      Page:'292'      DOI:''      Title:'SOME COMPONENTS OF THE SEED OIL OF Malva sylvestris'
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