LBF18109MO01: Difference between revisions

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|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^- ^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}}]]
|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=^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}}]]
|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}}]]

Revision as of 10:00, 25 February 2010

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Upper classes: LB LBF



12,13-Epoxy-11-Methoxy-9-Octadecenoic Acid
LBF18109MO01.png
Structural Information
12,13-Epoxy-11-Methoxy-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