LBF18108HO02: Difference between revisions
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Revision as of 00:02, 20 December 2008
IDs and Links | |
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LipidBank | DFA8019 |
LipidMaps | LMFA01050122 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18108HO02 |
12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid | |
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Structural Information | |
12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid | |
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Formula | C20H38O5 |
Exact Mass | 358.271924326 |
Average Mass | 358.51272 |
SMILES | OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC |
Physicochemical Information | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Neff_WE et al.: m/e=343[M-173], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 416[CH3CH2OCH-CH=CH-CH(OTMS)-(CH2)7-C(OTMS)OCH3: rearrangement peak] |
UV Spectra | |
IR Spectra | Isolated trans olefin(980-978cm-1), ether alcohol CO stretch(1090cm-1), OH(3500-3420cm-1) Gardner_HW et al. Neff_WE et al. |
NMR Spectra | 1H-NMR: C9(4.12ppm), C10, 11(5.63ppm), C12, 13(3.62ppm), OH(5.6ppm), -OCH2CH3(1.16ppm), -OCH2CH3(3.44ppm) Gardner_HW et al. Neff_WE et al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||
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