LBF18108HO04

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Upper classes



LBF18108HO04.png
Structural Information
Systematic Name 9,12,13-Trihydroxy-10-Octadecenoic Acid/9,12,13-Trihydroxy-10-Octadecenoate
Common Name
Symbol
Formula C18H34O5
Exact Mass 330.240624198
Average Mass 330.45956
SMILES CCCCCC(O)C(O)C=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)<<8059/8017/8056/8069/8009/8066/8012>>: m/e=545[M-CH3], 529[M-OCH3], 460[rearrangment peak], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 387[M-173], 301[M-259], 298[M-HOTMS], GC-EI-MS(after methanolysis, trimethylsilylation and isopropylidene treatment), GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)
UV Spectra
IR Spectra Methyl ester: olefinic trans unsaturation(990-965 cm-1), free OH(3620-3595 cm-1), bonded OH(3640-3160cm-1)<<8059/8017/8056/8009/8071>>
NMR Spectra 1H-NMR(methyl ester)<<8017/8069/8009>>:olefinic protons(5.74-5.86ppm), C9, 12(3.7-4.2ppm), C13(3.2-3.77ppm), OH(3.6ppm)
Chromatograms




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