LBF20107PG18: Difference between revisions
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|SysName=7- [ 3 (R) ,5 (S) -Dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) cyclopentan-1 (R) -yl ] -6-oxoheptanoic acid | |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 F1alpha&& | |Common Name=&&6-KETOPROSTAGLANDIN F1alpha&& | ||
|Reflactive=[<FONT FACE="Symbol">a</FONT>]X<sub>D</sub><sup>21</sup>= -9.6° (C=1.04 METHANOL) | |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 | |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}}]] | ||
|Mass Spectra=METHYL ESTER ; 366(M<SUP><FONT SIZE=-1>+</FONT></SUP>-18), 348, 335, 330, 323, 319, 279, 265, 223, 196, 195, 164, 143, 121, 111, 99, 95, 71 | |Mass Spectra=METHYL ESTER ; 366(M<SUP><FONT SIZE=-1>+</FONT></SUP>-18), 348, 335, 330, 323, 319, 279, 265, 223, 196, 195, 164, 143, 121, 111, 99, 95, 71 [[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}}]]. DIRECT EXPOSURE AMMONIA CI POSITIVE : 370, 353, 244, 163, 153, 136. NEGATIVE : 368, 351, 334, 316, 225, 219, 166, 135, 127 [[Reference:Cepa_SR:Hall_ER:Venton_DL:,Prostaglandins,1984,27,645|{{RelationTable/GetFirstAuthor|Reference:Cepa_SR:Hall_ER:Venton_DL:,Prostaglandins,1984,27,645}}]] | ||
|IR Spectra=NEAT: <FONT FACE="Symbol">n</FONT> 3400, 1715, 1245, 1045, 975, 915, 875, 845, 800, 730 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> | |IR Spectra=NEAT: <FONT FACE="Symbol">n</FONT> 3400, 1715, 1245, 1045, 975, 915, 875, 845, 800, 730 cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[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}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(ACETONE-D<SUB><FONT SIZE=-1>6</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 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) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(ACETONE-D<SUB><FONT SIZE=-1>6</FONT></SUB>) : <FONT FACE="Symbol">d</FONT> 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) [[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}}]] | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | XPR1811 |
| LipidMaps | LMFA03010001 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF20107PG18 |
| 6-KETOPROSTAGLANDIN F1α | |
|---|---|
| |
| Structural Information | |
| 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-AsciakCMETHANOL, ACETONE, ETHYL ACETATE TanakaTet 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 TanakaTet 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 TanakaTet 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) TanakaTet al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||
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