GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
|
|
Structural Information
|
|
9,13-Dihydroxy-10-Octadecenoic Acid/9,13-Dihydroxy-10-Octadecenoate
|
|
|
|
|
Formula
|
C18H34O4
|
Exact Mass
|
314.24570957599997
|
Average Mass
|
314.46016
|
SMILES
|
CCCCCC(O)CC=CC(O)CCCCCCCC(O)=O
|
Physicochemical Information
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Spectral Information
|
Mass Spectra
|
GC-EI-MS(after methanolysis and trimethylsilylation)<<8059/8017/8092/8012>>: m/e=429[M-43], 355, 285[CH=CH-CH(OTMS) -(CH2)7COOCH3], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8059/8092>>
|
UV Spectra
|
|
IR Spectra
|
Trans unsaturation(980cm-1), olefinic(3010cm-1), OH(3620-3500cm-1)<<8017>>
|
NMR Spectra
|
1H-NMR(90MHz,CDCl3): trans olefinic protons(5.6-6.22ppm), carbinol methine protons(4.12ppm), J10-11=12.1Hz(trans unsaturation) <<8017>>
|
Other Spectra
|
|
Chromatograms
|
|