LBF20307PG38: Difference between revisions

Revision as of 00:01, 20 December 2008

Upper classes: LB LBF

PROSTAGLANDIN J₂

Structural Information
	7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
	PROSTAGLANDIN J₂ 7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid

Formula	C20H30O4
Exact Mass	334.21440944799997
Average Mass	334.4498
SMILES	`C(CC[C@@H](O)C=C[C@@H](C(=O)1)[C@@H](CC=CCCCC(O)=O)C=C1)CC`
Physicochemical Information





	ACETONITRILECHLOROFORM, ETHANOL Bundy_GL et al.






Spectral Information
Mass Spectra	TMS ETHER ; M⁺ 478.2934 Bundy_GL et al.
UV Spectra	l ^M^e^O^H_m_a_x = 305(e 1200), 216(e 9900)nm Bundy_GL et al.
IR Spectra	n 3400, 3200, 2660, 1710, 1085, 970 cm^-¹ Bundy_GL et al.
NMR Spectra	¹H-NMR(CDCl₃) : d 7.75-7.55(m, 1H, 9-CH), 6.30-6.10(m, 1H, 10-CH), 5.90(brs, 2H, OH), 5.75-5.35(m, 4H), 4.30-3.95(m, 1H, 15-CH) Bundy_GL et al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference
n.a.	LBF20307PG38	See above.	Bundy_GL et al. 1983
n.a.	LBF20307PG38	See above.	Fukushima_M 1992
n.a.	LBF20307PG38	See above.	Mubarik-Ali_S et al. 1980

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA03010019
 |SysName=7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid
-|Common Name=&&PROSTAGLANDIN J_2&&
+|Common Name=&&PROSTAGLANDIN J_2&&7- [ 2 (R) - (3 (S) -Hydroxy-1 (E) -octenyl) -3-oxo-4-cyclopenten-1 (R) -yl ] -5 (Z) -heptenoic acid&&
 |Solubility=ACETONITRILECHLOROFORM, ETHANOL [[Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790|{{RelationTable/GetFirstAuthor|Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790}}]]
 |Mass Spectra=TMS ETHER ; M<SUP><FONT SIZE=-1>+</FONT></SUP> 478.2934 [[Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790|{{RelationTable/GetFirstAuthor|Reference:Bundy_GL:Morton_DR:Peterson_DC:Nishizawa_EE:Miller_WL:,J. Med. Chem.,1983,26,790}}]]