LBF20207PG23: Difference between revisions

Revision as of 09:01, 20 December 2008

Upper classes: LB LBF

Prostaglandin E₂

Structural Information
	7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl-5-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid
	Prostaglandin E₂ 7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl-5-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid

Formula	C20H32O5
Exact Mass	352.224974134
Average Mass	352.46508
SMILES	`C(CC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CC`
Physicochemical Information
	65-66°C Corey_EJ et al.




	ETHYL ACETATE,THF,CHLOROFORM Donaldson_RE et al. Sih_CJ et al.. STABILITIES: to be stable under neutral condition. to decompose to PGA2 under acidic and to PGB2 under basic conditions Karim_SM et al. Pike_J_Eet al.






Spectral Information
Mass Spectra	d,l-mixture ; 334(M⁺-18), 316, 298, 190 Chen_SML et al.
UV Spectra
IR Spectra	d,l-mixture ; 3400, 1710, 970cm^-¹ Chen_SML et al.
NMR Spectra	¹³C-NMR(CDCl₃) : 214.71(C9),178.39(C1), 136.62(C14), 131.52(C13), 130.91(C5), 126.69(C6), 73.19(C15), 72.13(C11), 54.55(C12), 53.51(C8), 46.23(C10), 37.00 (C16), 33.56(C2), 31.73(C18), 26.47(C4), 25.20(C7,17), 24.60(C3), 22.64(C19), 14.04. Donaldson_RE et al.. ¹H-NMR(CDCl₃) : d5.67(dd, J=6.6Hz, 15.4, 1H, 14-CH), 5.57(dd, J=8.1, 15.4Hz, 1H, 13-CH), 5.40(m, 2H, 5.6-CH), 4.12(q, J=6.5, 6.7, 6.8Hz, 1H, 15-CH), 4.06(q, J=8.1, 8.2, 8.3Hz, 1H, 11-CH), 2.72(dd, J= Donaldson_RE et al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference
n.a.	LBF20207PG23	See above.	Bergstrom_S 1967
n.a.	LBF20207PG23	See above.	Bergstrom_S et al. 1968
n.a.	LBF20207PG23	See above.	Chen_SML et al. 1978
n.a.	LBF20207PG23	See above.	Corey_EJ et al. 1970
n.a.	LBF20207PG23	See above.	Donaldson_RE et al. 1983
n.a.	LBF20207PG23	See above.	Funk_CD 1993
n.a.	LBF20207PG23	See above.	Hansen_HS 1976
n.a.	LBF20207PG23	See above.	Herschman_HR 1996
n.a.	LBF20207PG23	See above.	Karim_SM et al. 1968
n.a.	LBF20207PG23	See above.	Negishi_M et al. 1995
n.a.	LBF20207PG23	See above.	Pike_JE et al. 1969
n.a.	LBF20207PG23	See above.	Sih_CJ et al. 1975
n.a.	LBF20207PG23	See above.	Smith_WL et al. 1996
n.a.	LBF20207PG23	See above.	Urade_Y et al. 1995

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA03010003
 |SysName=7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl-5-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid
-|Common Name=&&Prostaglandin E_2&&
+|Common Name=&&Prostaglandin E_2&&7- [ 3 (R) -Hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl-5-oxocyclopentan-1 (R) -yl ] -5 (Z) -heptenoic acid&&
 |Melting Point=65-66°C [[Reference:Corey_EJ:Schaaf_TK:Huber_W:Koelliker_U:Weinshenker_NM:,J. Am. Chem. Soc.,1970,92,397|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Schaaf_TK:Huber_W:Koelliker_U:Weinshenker_NM:,J. Am. Chem. Soc.,1970,92,397}}]]
 |Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>26</sup>=-61.0°(C=1.0, TETRAHYDROFURAN) [[Reference:Corey_EJ:Schaaf_TK:Huber_W:Koelliker_U:Weinshenker_NM:,J. Am. Chem. Soc.,1970,92,397|{{RelationTable/GetFirstAuthor|Reference:Corey_EJ:Schaaf_TK:Huber_W:Koelliker_U:Weinshenker_NM:,J. Am. Chem. Soc.,1970,92,397}}]]