LBF18109HO05
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8028 |
LipidMaps | LMFA01050130 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF18109HO05.mol |
Structural Information | |
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Systematic Name | 11,12,13-Trihydroxy-9-Octadecenoic Acid |
Common Name | |
Symbol | |
Formula | C18H34O5 |
Exact Mass | 330.240624198 |
Average Mass | 330.45956 |
SMILES | CCCCCC(O)C(O)C(O)C=CCCCCCCCC(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)<<8069>>: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173] |
UV Spectra | |
IR Spectra | Methyl ester(CS2): cis olefin(758cm-1), bonded OH(3400-3240cm-1) <<8069>> |
NMR Spectra | 1H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm)<<8069>> |
Chromatograms |