LBF18108HO01

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Latest revision as of 09:00, 1 October 2008



Upper classes



LBF18108HO01.png
Structural Information
Systematic Name 12,13-Epoxy-9-Hydroxy-10-Octadecenoic Acid/12,13-Epoxy-9-Hydroxy-10-Octadecenoate
Common Name
Symbol
Formula C18H32O4
Exact Mass 312.23005951199997
Average Mass 312.44428
SMILES C(C(C=CC(O)CCCCCCCC(O)=O)1)(CCCCC)O1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(after methanolysis and trimethylsilylation)<<8017/8056/8009/8012/8071>>: m/e=398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 241[M-(CH2)7COOCH3], 285[CH=CH-CH(OTMS)-(CH2)7COOCH3], 259[SMTO=CH-(CH2)7COOCH3]GC-EI-MS(after methanolysis and trimethylsiltlation under acidity)<<8052>> GC-EI-MS(after BF3-MeOH treatment and trimethylsilylation)<<8057>>
UV Spectra l=277 and 316nm(very weak absorption)<<8009>>
IR Spectra Methyl ester<<8017/8056/8009/8063/8071>>: trans olefin(965-958cm-1), trans epoxide( 890-874cm-1), cis epoxide(weak absorption; 845 and 830cm-1), free OH(3600cm-1)bonded OH(3640-3380cm-1)
NMR Spectra 1H-NMR<<8052/8017/8056/8009>>: C9(3.9-4.2ppm), C10(5.93-5.95ppm), C11(5.41-5.53ppm), C12(3.09-3.1ppm; trans epoxide), C13(2.81-2.83ppm; trans epoxide), C12, 13(2.9- 3.4ppm; cis epoxide),OH proton(3.6ppm), J10-11=15.6Hz(trans unsaturation),J12-13=2-2.2Hz(trans epoxide)
Chromatograms




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