LBF18108HP03: Difference between revisions

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|Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: m/e=313[M-131]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: m/e=389[SMTO=CH(CH2)2CH(OTMS)(CH2)7COOCH3]; 299[389-HOTMS]; 259[SMTO=CH(CH2)7COOCH3]
|Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: m/e=313[M-131]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: m/e=389[SMTO=CH(CH2)2CH(OTMS)(CH2)7COOCH3]; 299[389-HOTMS]; 259[SMTO=CH(CH2)7COOCH3]
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: C9, 12, 13, 15: 4.45ppm; C10, 11: 5.68ppm; C14: 2.1-2.7ppm; C16: 4.08 ppm; C17: 1.6ppm; OOH: 8.45ppm
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: C9, 12, 13, 15: 4.45ppm; C10, 11: 5.68ppm; C14: 2.1-2.7ppm; C16: 4.08 ppm; C17: 1.6ppm; OOH: 8.45ppm
|Source=It is produced from 13,15-epidioxy-16-hydroperoxides by 1,4-adduct of singlet-oxygen mediated oxidation of 13-peroxyradical linoleate via 1,3-cyclization[[Reference:Frankel_EN:,Prog. Lipid Res.,1984,23,197|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:,Prog. Lipid Res.,1984,23,197}}]][[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]];>.
|Source=It is produced from 13,15-epidioxy-16-hydroperoxides by 1,4-adduct of singlet-oxygen mediated oxidation of 13-peroxyradical linoleate via 1,3-cyclization[[Reference:Frankel_EN:,Prog. Lipid Res.,1984,23,197|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:,Prog. Lipid Res.,1984,23,197}}]][[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]].
|Chemical Synthesis=
|Chemical Synthesis=
|Metabolism=
|Metabolism=

Revision as of 11:55, 25 November 2009

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Upper classes: LB LBF



Methyl-9,12,13,15-Bisepidioxy-16-Hydroperoxy-10-Octadecenoate
LBF18108HP03.png
Structural Information
Methyl-9,12,13,15-Bisepidioxy-16-Hydroperoxy-10-Octadecenoate
  • Methyl-9,12,13,15-Bisepidioxy-16-Hydroperoxy-10-Octadecenoate
Formula C19H32O8
Exact Mass 388.20971799999995
Average Mass 388.45258
SMILES C(O1)(C(CC)OO)CC(C(C=2)OOC(CCCCCCCC(=O)OC)C2)O1
Physicochemical Information
It is produced from 13,15-epidioxy-16-hydroperoxides by 1,4-adduct of singlet-oxygen mediated oxidation of 13-peroxyradical linoleate via 1,3-cyclization Frankel_EN Neff_WE et al..
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization) Neff_WE et al.: m/e=313[M-131]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization) Neff_WE et al.: m/e=389[SMTO=CH(CH2)2CH(OTMS)(CH2)7COOCH3]; 299[389-HOTMS]; 259[SMTO=CH(CH2)7COOCH3]
UV Spectra
IR Spectra
NMR Spectra 1H-NMR Neff_WE et al.: C9, 12, 13, 15: 4.45ppm; C10, 11: 5.68ppm; C14: 2.1-2.7ppm; C16: 4.08 ppm; C17: 1.6ppm; OOH: 8.45ppm
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18108HP03 See above. Frankel_EN 1984
n.a. LBF18108HP03 See above. Neff_WE et al. 1984