LBF18203EO02
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8072 |
LipidMaps | LMFA01070013 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF18203EO02.mol |
Structural Information | |
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Systematic Name | Methyl-12,13-Epoxy-9,15-Octadecadienoate |
Common Name | |
Symbol | |
Formula | C19H32O3 |
Exact Mass | 308.23514489 |
Average Mass | 308.45558 |
SMILES | C(C(CC=CCCCCCCCC(=O)OC)1)(CC=CCC)O1 |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | GC-EI-MS<<8084>>: m/e=308[M]; 277[M-OCH3]; 211[CH-(O)-CHCH2CH=CH(CH2)7COOCH3-28] 83[M-CH2CH=CH(CH2)7COOCH3-28], GC-EI-MS(after hydrogenation)(105): m/e=281[M-OCH3]; 241[CH-(O)-CH(CH2)10CO OCH3]; 213[214-28]; 113[M-(CH2)10COOCH3]; 85[113-28] |
UV Spectra | |
IR Spectra | Cis unsaturation: 3002cm-1<<8081>> |
NMR Spectra | 1H-NMR<<8081>>: cis unsaturationS: 5.43ppm[4H]; cis epoxide ring:2.79 AND 2.98ppm[2H] |
Chromatograms |