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|LipidBank=DFA8015
|LipidBank=DFA8015
|LipidMaps=LMFA01080007
|LipidMaps=LMFA01080007
|SysName=12,13-Epoxy-11-Methoxy-9-Octadecenoic Acid
|SysName=11-Methoxy-12,13-epoxy-9-octadecenoic acid
|Common Name=&&12,13-Epoxy-11-Methoxy-9-Octadecenoic Acid&&
|Common Name=&&12,13-Epoxy-11-methoxy-9-octadecenoic acid&&
|Mass Spectra=GC-EI-MS(methyl ester)[[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=309[M-OCH3], 240[M-CH3(CH2)4CHO], 227[CH3OCH-CH=CH(CH2)7COOCH3], 209[240-OCH3], 195[227-CH3OH]
|Mass Spectra=GC-EI-MS(methyl ester)[[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=309[M-OCH3], 240[M-CH3(CH2)4CHO], 227[CH3OCH-CH=CH(CH2)7COOCH3], 209[240-OCH3], 195[227-CH3OH]
|IR Spectra=Methyl ester: cis olefin(758-740cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), trans epoxide(900 AND 890cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis epoxide(852 and 842cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) [[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}}]]
|IR Spectra=Methyl ester: cis olefin(758-740cm^{-1}), trans epoxide(900 AND 890cm^{-1}), cis epoxide(852 and 842cm^{-1}) [[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}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR: C8(2.08ppm), C9(5.69-5.74ppm), C10(5.28-5.32ppm), C11(3.76-4.03ppm), C12(2.74-2.98ppm), C13(2.74-2.92ppm), J9-10=11.7-11.9Hz(cis unsaturation) [[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}}]]
|NMR Spectra=^1 H-NMR: C8(2.08ppm), C9(5.69-5.74ppm), C10(5.28-5.32ppm), C11(3.76-4.03ppm), C12(2.74-2.98ppm), C13(2.74-2.92ppm), J9-10=11.7-11.9Hz(cis unsaturation) [[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}}]]
|NOTE Spectra=ORD analysis[[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}}]]
|NOTE Spectra=ORD analysis[[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}}]]
|Source=Oxidative products of 13-hydroperoxylinoleate in MeOH[[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}}]].
|Source=Oxidative products of 13-hydroperoxylinoleate in MeOH[[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=
|Chemical Synthesis=
|Metabolism=
|Metabolism=
|Other Spectra=ORD analysis[[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}}]]
}}
}}


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Latest revision as of 13:40, 28 October 2010

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Upper classes: LB LBF



IDs and Links
LipidBank DFA8015
LipidMaps LMFA01080007
CAS
KEGG {{{KEGG}}}
KNApSAcK {{{KNApSAcK}}}
mol LBF18109MO01
12,13-Epoxy-11-methoxy-9-octadecenoic acid
Structural Information
11-Methoxy-12,13-epoxy-9-octadecenoic acid
  • 12,13-Epoxy-11-methoxy-9-octadecenoic acid
Formula C19H34O4
Exact Mass 326.24570957599997
Average Mass 326.47086
SMILES C(C(O1)C1CCCCC)(OC)C=CCCCCCCCC(O)=O
Physicochemical Information
Oxidative products of 13-hydroperoxylinoleate in MeOH Gardner et al..
Spectral Information
Mass Spectra GC-EI-MS(methyl ester) Gardner et al.: m/e=309[M-OCH3], 240[M-CH3(CH2)4CHO], 227[CH3OCH-CH=CH(CH2)7COOCH3], 209[240-OCH3], 195[227-CH3OH]
UV Spectra
IR Spectra Methyl ester: cis olefin(758-740cm-1), trans epoxide(900 AND 890cm-1), cis epoxide(852 and 842cm-1) Gardner et al.
NMR Spectra 1H-NMR: C8(2.08ppm), C9(5.69-5.74ppm), C10(5.28-5.32ppm), C11(3.76-4.03ppm), C12(2.74-2.98ppm), C13(2.74-2.92ppm), J9-10=11.7-11.9Hz(cis unsaturation) Gardner et al.
Other Spectra ORD analysis Gardner et al.
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18109MO01 See above. Gardner_HW et al. 1984


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