LBF18108HO06
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8040 |
LipidMaps | LMFA01050137 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF18108HO06.mol |
Structural Information | |
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Systematic Name | 9-Hydroxy-13-Oxo-10-Octadecenoic Acid |
Common Name | |
Symbol | |
Formula | C18H32O4 |
Exact Mass | 312.23005951199997 |
Average Mass | 312.44428 |
SMILES | CCCCCC(=O)CC=CC(O)CCCCCCCC(O)=O |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation)<<8013/8071/8068>>: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 259[SMTO=CH-(CH2)7COOCH3], 241[M-(CH2)7COOCH3], 99[CH3(CH2)4CO] GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8068>> |
UV Spectra | |
IR Spectra | Metyl ester: isolated trans olefin(970cm-1), keto carbonyl(1717cm-1), OH(3460cm-1) <<8013/8071>> |
NMR Spectra | 1H-NMR(methyl ester, trans ene)<<8013>>: C9(4.08ppm), C10(5.56ppm), C11(5.7ppm), C12(3.11ppm), C2,14(2.33ppm) |
Chromatograms |