LBF18109HO03

From Metabolomics.JP
Revision as of 09:00, 1 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search



Upper classes



LBF18109HO03.png
Structural Information
Systematic Name 12,13-Epoxy-11-Hydroxy-9-Octadecenoic Acid/12,13-Epoxy-11-Hydroxy-9-Octadecenoate
Common Name
Symbol
Formula C18H32O4
Exact Mass 312.23005951199997
Average Mass 312.44428
SMILES C(C(C(O)C=CCCCCCCCC(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)<<8093/8013/8059/8060/8063/8017/8014>>: m/e=398[M], 298[M-CH3(CH2)4CHO], 285[SMTO=CH-CH=CH(CH2)7COOCH3], 241[M-(CH2)7-COOCH3], 113[CH-(-O-)-CH-(CH2)4CH3]; GC-EI-MS(after methanolysis, trimethylsilylation and hydrogenation)<<8059>>
UV Spectra
IR Spectra Methyl ester: trans olefin(980-962cm-1), trans epoxide(900-890cm-1), OH(3590-3300cm-1) <<8093/8013/8066/8059/8057>>
NMR Spectra 1H-NMR<<8013/8066/8060/8063/8017>>:trans-epoxy-cis-ene: C8(2.08ppm), C9(5.60-5.65ppm), C10(5.32-5.46ppm), C11(4.25-4.63ppm), C12(2.77-2.78ppm), C13(2.92-3.0ppm), J9-10=11Hz, J10-11=8Hz, J11-12=3-5Hz, J12-13=2-2.5Hz, trans-epoxy-trans-ene: C8(2.06ppm), C9, 10(5.54ppm)
Chromatograms




Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox