LBF20406HX02

IDs and Links
LipidBank	XPR5101
LipidMaps	LMFA03090003
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	LBF20406HX02.mol

HEPOXILIN B3
Structural Information
Systematic Name	10-Hydroxy-11 (R) ,12 (S) -epoxyeicosa-5,8,14 (Z,Z,Z) -trienoic acid
Common Name	HEPOXILIN B3
Symbol
Formula	C20H32O4
Exact Mass	336.23005951199997
Average Mass	336.46567999999996
SMILES	C(CC=CC[C@@H]([C@@H](C(O)C=CCC=CCCCC(O)=O)1)O1)CCC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index	ACETATE, METHYL ESTER ; [a]XD23=-10.9°(C=0.11, CHLOROFORM) <<1073>>
Solubility	DIETHYL ETHER <<1071>>
Spectral Information
Mass Spectra	METHYL ESTER TMS ETHER ; m/e 311, 282, 269(base peak) <<1073>>
UV Spectra
IR Spectra	ACETATE METHYL ESTER ; n(CHLOROFORM) 2956, 1743, 1550, 1372, 1234, 1033, 999cm-1 <<1073>>
NMR Spectra	ACETATE METHYL ESTER ; 1H-NMR(C6D6) : d 5.67(dd, J=9.2, 6.4Hz, 1H, 10-CH), 5.52, 5.46, 5.42, 5.35, 5.32, 3.36(s, 3H, OCH3), 2.95(m, 2H, 7-CH), 2.92(m, 1H, 11-CH), 2.86(ddd, J=7.4, 7.4, 2.1Hz, 1H, 12-CH), 2.30(ddd, J=14.8, 7.4, 7.4Hz, 1H, 13-CH), 2.18(ddd, J=14.8, 7.4, 7.4Hz, 1H, 13-CH), 2.12(t, J=7.4Hz, 2H, 2-CH), 1.98(dt, J=7.4, 7.4Hz, 2H, 4-CH), 1.92(dt, J=8.8, 8.8Hz, 2H, 16-CH), 1.65(s, 3H, COCH3), 1.60(tt, J=7.4, 7.4Hz, 2H, 3-CH), 1.25(m, 6H), 0.88(t, J=7.0Hz, 3H, 20-CH). <<1073>> 13NMR(C6D6) : 134.22, 133.35, 130.17, 127.74, 124.31, 123.37, 70.86, 58.30, 55.71, 50.94, 33.30, 31.71, 29.66, 29.52, 27.59, 26.73, 25.00, 22.88, 20.53, 14.23 <<1073>>
Chromatograms