LBF18207TX01

Upper classes: LB LBF

IDs and Links
LipidBank	XPR2111
LipidMaps	LMFA03030003
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18207TX01

2,3-DINORTHROMBOXANE B2
Structural Information
Systematic Name	5- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -3 (Z) -pentenoic acid
Common Name	2,3-DINORTHROMBOXANE B2 5- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -3 (Z) -pentenoic acid
Symbol
Formula	C18H30O6
Exact Mass	342.204238692
Average Mass	342.42719999999997
SMILES	[C@@H]([C@@H](CC=CCC(O)=O)1)(C=C[C@H](O)CCCCC)OC(O)C[C@@H]1O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility	ETHYL ACETATE, DIETHYL ETHER, DICHLOROMETHANE Nelson_NA et al.
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	METHYL ESTER TRIS-TMS ETHER ; m/e 557, 482, 467, 411, 338, 301, 295, 267, 228, 225, 217 KindahlH
UV Spectra
IR Spectra
NMR Spectra	METHYL ESTER ; 1H-NMR(CDCl3) : d 5.77-5.0(m, 6H), 4.50-3.96(m, 5H), 3.71(s, 3H, OCH3), 3.20-3.00(m, 2H) Nelson_NA et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18207TX01 See above. Kindahl_H 1977 n.a. LBF18207TX01 See above. Nelson_NA et al. 1978 n.a. LBF18207TX01 See above. Roberts_LJ et al. 1977