LBF18304HP01
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8053 |
LipidMaps | LMFA01040016 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF18304HP01.mol |
Structural Information | |
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Systematic Name | 16-Hydroperoxy-9,12,14-Octadecatrienoic Acid/16-Hydroperoxy-9,12,14-Octadecatrienoate |
Common Name | |
Symbol | |
Formula | C18H30O4 |
Exact Mass | 310.21440944799997 |
Average Mass | 310.4284 |
SMILES | CCC(OO)C=CC=CCC=CCCCCCCCC(O)=O |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | EI-MS(Me-ester; after reduction and hydrogenation)<<8020/8077>>: m/e=285[O=CH(CH2)14C(=OH)OCH3]; 256[CH2(CH2)13C(=OH)OCH3]; 253[O=CH(CH2)14C=O], GC-EI-MS(Me-ester; after reduction,tms)<<8077>>: m/e=380[M]; 365[M-CH3]; 351[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-(CH2)7-COOCH3] |
UV Spectra | (Me-ester; after reduction; in etoh)<<8076>>, cis, cis, trans isomer: lmax=236nm, cis, trans, trans isomer: lmax=232nm |
IR Spectra | (Me-ester; after reduction)<<8076/8077>>, cis, cis, trans isomer: 989-983 and 951-945cm-1; cis, trans, trans isomer: 991-983cm-1, (Me-ester)<<8078>>, OOH group: 3400cm-1 |
NMR Spectra | |
Chromatograms |