LBF20307PG03: Difference between revisions

Revision as of 13:00, 26 July 2009

Upper classes: LB LBF

PROSTAGLANDIN B₂

Structural Information
	7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] -5 (Z) -heptenoic acid
	PROSTAGLANDIN B₂ 7- [ 2- (3 (S) -Hydroxy-1 (E) -octenyl) -5-oxo-1-cyclopenten-1-yl ] -5 (Z) -heptenoic acid

Formula	C20H30O4
Exact Mass	334.21440944799997
Average Mass	334.4498
SMILES	`C(CC[C@@H](O)C=CC(=C1CC=CCCCC(O)=O)CCC(=O)1)CC`
Physicochemical Information












Spectral Information
Mass Spectra	METHYL ESTER; m/e 348(M⁺), 317, 249, 247, 245, 217, 215, 133, 119, 109 Floyd_MB et al.
UV Spectra	MeOH: 278 nm (e 26000) Floyd_MB et al.
IR Spectra
NMR Spectra	METHYL ESTER ; ¹H-NMR : d 6.9(d, J=16Hz, 1H, 13-CH), 6.3(dd, J=5.5, 16Hz, 1H,14-CH), 5.7-5.1(m, 2H), 4.5-4.1(m, 1H, 15-CH), 3.65(S, 3H, OCH3), 3.15-2.85(m, 2H, 7-CH) Floyd_MB et al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference
n.a.	LBF20307PG03	See above.	Bergstrom_S 1967
n.a.	LBF20307PG03	See above.	Floyd_MB et al. 1980
n.a.	LBF20307PG03	See above.	Pike_JE et al. 1969
n.a.	LBF20307PG03	See above.	Polet_H et al. 1975

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 |NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR : <FONT FACE="Symbol">d</FONT> 6.9(d, J=16Hz, 1H, 13-CH), 6.3(dd, J=5.5, 16Hz, 1H,14-CH), 5.7-5.1(m, 2H), 4.5-4.1(m, 1H, 15-CH), 3.65(S, 3H, OCH3), 3.15-2.85(m, 2H, 7-CH) [[Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903|{{RelationTable/GetFirstAuthor|Reference:Floyd_MB:Schaub_RE:Siuta_GJ:Skotnicki_JS:Grudzinskas_CV:Weiss_MJ:Dessy_F:VanHumbeeck_L:,J. Med. Chem.,1980,23,903}}]]
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+{{Lipid/Footer}}