LBF18106EO01: Difference between revisions

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|LipidBank=DFA8007
|LipidBank=DFA8007
|LipidMaps=LMFA01070011
|LipidMaps=LMFA01070011
|SysName=9,10-Epoxy-12-Octadecenoic Acid/9,10-Epoxy-12-Octadecenoate
|SysName=9,10-Epoxy-12-Octadecenoic Acid
|Common Name=&&9,10-Epoxy-12-Octadecenoic Acid/9,10-Epoxy-12-Octadecenoate&&
|Common Name=&&9,10-Epoxy-12-Octadecenoic Acid&&9,10-Epoxy-12-Octadecenoate&&
|Mass Spectra=GC-EI-MS[[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]]: m/e= 310[M], 279[M-OCH3], 199[M-CH3(CH2)4CH=CHCH2], 153[M-(CH2)7-COOCH3], GC-EI-MS(after solvolysation-trimethylsilylation in MeOH)[[Reference:Wu_GS:Stein_RA:Mead_JF:,Lipids.,1977,12,971|{{RelationTable/GetFirstAuthor|Reference:Wu_GS:Stein_RA:Mead_JF:,Lipids.,1977,12,971}}]]
|Mass Spectra=GC-EI-MS[[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]]: m/e= 310[M], 279[M-OCH3], 199[M-CH3(CH2)4CH=CHCH2], 153[M-(CH2)7-COOCH3], GC-EI-MS(after solvolysation-trimethylsilylation in MeOH)[[Reference:Wu_GS:Stein_RA:Mead_JF:,Lipids.,1977,12,971|{{RelationTable/GetFirstAuthor|Reference:Wu_GS:Stein_RA:Mead_JF:,Lipids.,1977,12,971}}]]
|IR Spectra=Olefinic(3002cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis unsaturation(718cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis epoxide(835-815cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)[[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]]
|IR Spectra=Olefinic(3002cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis unsaturation(718cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), cis epoxide(835-815cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)[[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]]: olefinic protons(5.44ppm), isolated cis epoxide(2.92ppm)
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]]: olefinic protons(5.44ppm), isolated cis epoxide(2.92ppm)
}}
}}

Revision as of 09:39, 19 December 2008


Upper classes: LB LBF



9,10-Epoxy-12-Octadecenoic Acid
LBF18106EO01.png
Structural Information
9,10-Epoxy-12-Octadecenoic Acid
  • 9,10-Epoxy-12-Octadecenoic Acid
  • 9,10-Epoxy-12-Octadecenoate
Formula C18H32O3
Exact Mass 296.23514489
Average Mass 296.44488
SMILES C(C(CC=CCCCCC)1)(CCCCCCCC(O)=O)O1
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS Neff_WE et al.: m/e= 310[M], 279[M-OCH3], 199[M-CH3(CH2)4CH=CHCH2], 153[M-(CH2)7-COOCH3], GC-EI-MS(after solvolysation-trimethylsilylation in MeOH) Wu_GS et al.
UV Spectra
IR Spectra Olefinic(3002cm-1), cis unsaturation(718cm-1), cis epoxide(835-815cm-1) Neff_WE et al.
NMR Spectra 1H-NMR Neff_WE et al.: olefinic protons(5.44ppm), isolated cis epoxide(2.92ppm)
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18106EO01 See above. Kato_T et al. 1986
n.a. LBF18106EO01 See above. Neff_WE et al. 1978
n.a. LBF18106EO01 See above. Wu_GS et al. 1977