| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
|
|
| Structural Information
|
|
|
9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid/9,10-Epoxy-11-Hydroxy-12- Octadecenoate
|
|
|
|
|
|
|
| Formula
|
C18H32O4
|
| Exact Mass
|
312.23005951199997
|
| Average Mass
|
312.44428
|
| SMILES
|
C(C(C(O)C=CCCCCC)1)(CCCCCCCC(O)=O)O1
|
| Physicochemical Information
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| Spectral Information
|
| Mass Spectra
|
GC-EI-MS(after methanolysis and trimethylsilylation)<<8013/8059/8012/8063/8071/8017>>: m/e= 398[M], 383[M-CH3], 241[M-(CH2)7COOCH3], 199[SMTO=CH-CH=CH(CH2)4CH3 or CH(-O-)-CH(CH2)7COOCH3], GC-EI-MS(after methanolysis, reduction and hydrogenation)(078), GC-EI-MS(after aceto-hydrolyzation, methanolysis and trimethylsilylation)<<8066/8059>>: m/e=361[SMTO
|
| UV Spectra
|
|
| IR Spectra
|
Methyl ester<<8013/8057/8059/8066/8071>>: trans olefin(980cm-1), trans epoxide(900-890cm-1), OH(3620-3300cm-1)
|
| NMR Spectra
|
1H-NMR<<8013>>: trans-epoxy-cis-ene: C9(2.98ppm), C10(2.77ppm), C11(4.63ppm), C12(5.32ppm), C13(5.60ppm), C14(2.06ppm), J9-10=2Hz, J10-11=4Hz, J11-12=8Hz J12-13=11Hz / trans-epoxy-trans-ene: C9(2.93ppm), C10(2.77ppm), C11(4.25ppm), C12, 13(5.54ppm), C14(2.06ppm)
|
| Other Spectra
|
|
| Chromatograms
|
|
