LBF20107PG18: Difference between revisions

Revision as of 00:01, 20 December 2008

Upper classes: LB LBF

6-KETOPROSTAGLANDIN F_1α

Structural Information
	7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) cyclopentan-1 (R) -yl ] -6-oxoheptanoic acid
	6-KETOPROSTAGLANDIN F_1α 7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) cyclopentan-1 (R) -yl ] -6-oxoheptanoic acid

Formula	C20H34O6
Exact Mass	370.23553882
Average Mass	370.48036
SMILES	`C(CC[C@@H](O)C=C[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](C[C@@H]1O)O)CC`
Physicochemical Information





	DIETHYL ETHER Pace-Asciak_CMETHANOL, ACETONE, ETHYL ACETATE Tanaka_Tet al.






Spectral Information
Mass Spectra	METHYL ESTER ; 366(M⁺-18), 348, 335, 330, 323, 319, 279, 265, 223, 196, 195, 164, 143, 121, 111, 99, 95, 71 Tanaka_Tet al.. DIRECT EXPOSURE AMMONIA CI POSITIVE : 370, 353, 244, 163, 153, 136. NEGATIVE : 368, 351, 334, 316, 225, 219, 166, 135, 127 Cepa_SR et al.
UV Spectra
IR Spectra	NEAT: n 3400, 1715, 1245, 1045, 975, 915, 875, 845, 800, 730 cm^-¹ Tanaka_Tet al.
NMR Spectra	¹H-NMR(ACETONE-D₆) : d 6.1-5.4(bs, 4H), 5.5-5.2(m, 2H), 4.7-3.5(m, 3H), 2.5-1.1 (m, 22H), 0.86(t, 3H) Tanaka_Tet al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference
n.a.	LBF20107PG18	See above.	Cepa_SR et al. 1984
n.a.	LBF20107PG18	See above.	Moncada_S et al. 1978
n.a.	LBF20107PG18	See above.	Needleman_P et al. 1986
n.a.	LBF20107PG18	See above.	Pace-Asciak_C 1976
n.a.	LBF20107PG18	See above.	Tanaka_T et al. 1987

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA03010001
 |SysName=7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) cyclopentan-1 (R) -yl ] -6-oxoheptanoic acid
-|Common Name=&&6-KETOPROSTAGLANDIN F_1alpha&&
+|Common Name=&&6-KETOPROSTAGLANDIN F_1alpha&&7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) cyclopentan-1 (R) -yl ] -6-oxoheptanoic acid&&
 |Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>21</sup>= -9.6° (C=1.04 METHANOL) [[Reference:Tanaka_T:Hazato_A:Bannai_K:Okamura_N:Sugiura_S:Manabe_K:Toru_T:Kurozumi_S:Suzuki_M:Kawagishi_T_et_al:,Tetrahedron,1987,43,813|{{RelationTable/GetFirstAuthor|Reference:Tanaka_T:Hazato_A:Bannai_K:Okamura_N:Sugiura_S:Manabe_K:Toru_T:Kurozumi_S:Suzuki_M:Kawagishi_T_et_al:,Tetrahedron,1987,43,813}}]]
 |Solubility=DIETHYL ETHER[[Reference:Pace-Asciak_C:,J. Am. Chem. Soc.,1976,98,2348|{{RelationTable/GetFirstAuthor|Reference:Pace-Asciak_C:,J. Am. Chem. Soc.,1976,98,2348}}]]METHANOL, ACETONE, ETHYL ACETATE [[Reference:Tanaka_T:Hazato_A:Bannai_K:Okamura_N:Sugiura_S:Manabe_K:Toru_T:Kurozumi_S:Suzuki_M:Kawagishi_T_et_al:,Tetrahedron,1987,43,813|{{RelationTable/GetFirstAuthor|Reference:Tanaka_T:Hazato_A:Bannai_K:Okamura_N:Sugiura_S:Manabe_K:Toru_T:Kurozumi_S:Suzuki_M:Kawagishi_T_et_al:,Tetrahedron,1987,43,813}}]]