LBF18109HO05

From Metabolomics.JP
(Difference between revisions)
Jump to: navigation, search
 
 
Line 1: Line 1:
 +
{{Hierarchy|{{PAGENAME}}}}
 +
 
{{Metabolite
 
{{Metabolite
 
|LipidBank=DFA8028
 
|LipidBank=DFA8028

Latest revision as of 09:00, 1 October 2008



Upper classes



LBF18109HO05.png
Structural Information
Systematic Name 11,12,13-Trihydroxy-9-Octadecenoic Acid
Common Name
Symbol
Formula C18H34O5
Exact Mass 330.240624198
Average Mass 330.45956
SMILES CCCCCC(O)C(O)C(O)C=CCCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and trimethylsilylation)<<8069>>: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173]
UV Spectra
IR Spectra Methyl ester(CS2): cis olefin(758cm-1), bonded OH(3400-3240cm-1) <<8069>>
NMR Spectra 1H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm)<<8069>>
Chromatograms




Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox