LBF18109MO03: Difference between revisions

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{{Lipid/Header}}
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|LipidBank=DFA8037
|LipidBank=DFA8037
|LipidMaps=LMFA01080006
|LipidMaps=LMFA01080006
|SysName=12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid
|SysName=12,13-Dihydroxy-11-methoxy-9-octadecenoic acid
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)<<8070>>: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3]
|Common Name=&&12,13-Dihydroxy-11-methoxy-9-octadecenoic acid&&
|IR Spectra=Methyl ester(CS2)<<8070>>: cis olefin(750cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3550 and 3490cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester; CDCl3,300MHz)<<8070>>: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation)
|IR Spectra=Methyl ester(CS2)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: cis olefin(750cm^{-1}), OH(3550 and 3490cm^{-1})
|NMR Spectra=^1 H-NMR(methyl ester; CDCl3,300MHz)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation)
|Source=Oxidative products of 13-hydroperoxylinoleate in MeH[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]].
|Chemical Synthesis=
|Metabolism=
}}
}}
{{Lipid/Footer}}

Latest revision as of 21:00, 14 April 2010

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Upper classes: LB LBF



IDs and Links
LipidBank DFA8037
LipidMaps LMFA01080006
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF18109MO03
12,13-Dihydroxy-11-methoxy-9-octadecenoic acid
LBF18109MO03.png
Structural Information
12,13-Dihydroxy-11-methoxy-9-octadecenoic acid
  • 12,13-Dihydroxy-11-methoxy-9-octadecenoic acid
Formula C19H36O5
Exact Mass 344.256274262
Average Mass 344.48614000000003
SMILES CCCCCC(O)C(O)C(OC)C=CCCCCCCCC(O)=O
Physicochemical Information
Oxidative products of 13-hydroperoxylinoleate in MeH Gardner et al..
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and trimethylsilylation) Gardner et al.: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3]
UV Spectra
IR Spectra Methyl ester(CS2) Gardner et al.: cis olefin(750cm-1), OH(3550 and 3490cm-1)
NMR Spectra 1H-NMR(methyl ester; CDCl3,300MHz) Gardner et al.: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18109MO03 See above. Gardner_HW et al. 1984


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