LBF18109MO01

From Metabolomics.JP
Jump to: navigation, search



Upper classes



LBF18109MO01.png
Structural Information
Systematic Name 12,13-Epoxy-11-Methoxy-9-Octadecenoic Acid
Common Name
Symbol
Formula C19H34O4
Exact Mass 326.24570957599997
Average Mass 326.47086
SMILES C(C(O1)C1CCCCC)(OC)C=CCCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(methyl ester)<<8070>>: m/e=309[M-OCH3], 240[M-CH3(CH2)4CHO], 227[CH3OCH-CH=CH(CH2)7COOCH3], 209[240-OCH3], 195[227-CH3OH]
UV Spectra
IR Spectra Methyl ester: cis olefin(758-740cm-1), trans epoxide(900 AND 890cm-1), cis epoxide(852 and 842cm-1) <<8070>>
NMR Spectra 1H-NMR: C8(2.08ppm), C9(5.69-5.74ppm), C10(5.28-5.32ppm), C11(3.76-4.03ppm), C12(2.74-2.98ppm), C13(2.74-2.92ppm), J9-10=11.7-11.9Hz(cis unsaturation) <<8070>>
Chromatograms




Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox