LBF18203HP04

From Metabolomics.JP
(Difference between revisions)
Jump to: navigation, search
 
 
Line 1: Line 1:
 +
{{Hierarchy|{{PAGENAME}}}}
 +
 
{{Metabolite
 
{{Metabolite
 
|LipidBank=DFA8074
 
|LipidBank=DFA8074

Latest revision as of 09:00, 1 October 2008



Upper classes



LBF18203HP04.png
Structural Information
Systematic Name Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate
Common Name
Symbol
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES CCC=CCC(C=1)OOC(C1)C(OO)CCCCCCCC(=O)OC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization)<<8085>>: m/e=412[M]; 322[M-HOTMS]; 259[SMTO=CH(CH2)7COOCH3]; 153[M-259]; 69[CH2CH=CHCH2CH3]; 55[CH=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)(106): m/e=457[M-CH3-HOTMS]
UV Spectra
IR Spectra OOH group: 3635-3300cm-1[bonded]; olefinic protons: 3005cm-1; isolated trans unsaturation: 965cm-1 <<8085>>
NMR Spectra 1H-NMR<<8085>>: C8: 1.6ppm; C9: 4.22ppm; C10: 4.65ppm; C11, 12: 5.98ppm; C13: 4.48ppm; C14: 2.0ppm; C15, 16: 5.45ppm; C17: 2.05ppm; OOH: 8.65ppm
Chromatograms




Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox