LBF18302HP02

From Metabolomics.JP
Revision as of 09:00, 30 September 2008 by Editor (Talk | contribs)

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


LBF18302HP02.png
Structural Information
Systematic Name Methyl-13,15-Dihydroperoxy-9,11,16-Octadecatrienoate
Common Name
Symbol
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES CC=CC(OO)CC(OO)C=CC=CCCCCCCCC(=O)OC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(after reduction and TMS-derivatization)<<8084>>: m/e=468[M]; 453[M-OCH3]; 437[M-OCH3]; 378[M-HOTMS]; 311[SMTO=CHCH=CHCH=CH(CH2)7COOCH3]; 143[SMTO=CHCH=CHCH3]
UV Spectra Conjugated diene: lmax=234-235nm<<8084>>
IR Spectra OOH group: 3700-3140cm-1[bonded], 3520-3510cm-1[free]; conjugated cis, trans diene: 985-979cm-1, 953-935cm-1; isolated trans unsaturation: 968-960cm-1<<8084>>
NMR Spectra 1H-NMR<<8084>>: C2: 2.31-2.32ppm; C8, 14: 1.8-2.2ppm; C9, 10, 12, 16, 17: 5.25-6.20ppm; C11: 6.63ppm; C13, 15: 4.48-4.50ppm; C18: 1.8ppm; OOH: 7.94-8.08ppm<<8084>>
Chromatograms




Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox