LBF18109MO01: Difference between revisions
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Revision as of 00:02, 20 December 2008
IDs and Links | |
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LipidBank | DFA8015 |
LipidMaps | LMFA01080007 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18109MO01 |
12,13-Epoxy-11-Methoxy-9-Octadecenoic Acid | |
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Structural Information | |
12,13-Epoxy-11-Methoxy-9-Octadecenoic Acid | |
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Formula | C19H34O4 |
Exact Mass | 326.24570957599997 |
Average Mass | 326.47086 |
SMILES | C(C(O1)C1CCCCC)(OC)C=CCCCCCCCC(O)=O |
Physicochemical Information | |
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 | |
Chromatograms |
Reported Metabolites, References | ||||||||||
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