LBF20408AM04
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | XPR7059 |
LipidMaps | LMFA08020045 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF20408AM04.mol |
Structural Information | |
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Systematic Name | (16,16-dimethyldocosa-cis-5,8,11,14-tetraenoyl) -2'-methoxyethylamine |
Common Name | |
Symbol | |
Formula | C27H47NO2 |
Exact Mass | 417.360679753 |
Average Mass | 417.66762 |
SMILES | O=C(NCCOC)CCCC=CCC=CCC=CCC=CC(C)(C)CCCCCC |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
NMR Spectra | 1H NMR (CDCl3) d5.79 (br s, 1H, NH), 5.38 (m, 6H, 5,6,8,9,11,12-vinyl-H), 5.21 (m, 2H, 14,15-vinyl-H), 3.44,3.43 (s & d overlapped, 4H, O-CH2-CH2-N), 3.36 (s, 3H, OCH3), 2.92 (t, 2H, J=6.0Hz, 13-CH2), 2.80 (m, 4H, 7,10-CH2), 2.18 (t, 2H, J=7.7Hz, 2-CH2), 2.12(m, 2H, 4-CH2), 1.71 (p, 2H, J=7.7Hz, 3-CH2), 1.25 (m, 10H, 17-21-CH2), 1.08 (s, 6H, gem-Me2), 0.86 (m, 3H, 22-CH2) <<7009>> |
Chromatograms |