LBF18108HO02

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8019
LipidMaps	LMFA01050122
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18108HO02

12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid
Structural Information
Systematic Name	12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid
Common Name	12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid
Symbol
Formula	C20H38O5
Exact Mass	358.271924326
Average Mass	358.51272
SMILES	OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Neff_WE et al.: m/e=343[M-173], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 416[CH3CH2OCH-CH=CH-CH(OTMS)-(CH2)7-C(OTMS)OCH3: rearrangement peak]
UV Spectra
IR Spectra	Isolated trans olefin(980-978cm-1), ether alcohol CO stretch(1090cm-1), OH(3500-3420cm-1) Gardner_HW et al. Neff_WE et al.
NMR Spectra	1H-NMR: C9(4.12ppm), C10, 11(5.63ppm), C12, 13(3.62ppm), OH(5.6ppm), -OCH2CH3(1.16ppm), -OCH2CH3(3.44ppm) Gardner_HW et al. Neff_WE et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18108HO02 See above. Gardner_HW et al. 1974 n.a. LBF18108HO02 See above. Neff_WE et al. 1978 n.a. LBF18108HO02 See above. Sessa_DJ et al. 1977