LBF20207PG51: Difference between revisions
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Revision as of 09:02, 16 December 2008
IDs and Links | |
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LipidBank | XPR1801 |
LipidMaps | LMFA03010087 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF20207PG51 |
PROSTAGLANDIN I2 | |
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Structural Information | |
5 (Z) - [ 7 (R) -Hydroxy-6 (R) - (3 (S) -hydroxyocten-1 (E) -yl) -1 (S) ,5 (R) -2-oxabicyclo [ 3.3.0 ] oct-3-ylidenpentanoic acid | |
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Formula | C20H32O5 |
Exact Mass | 352.224974134 |
Average Mass | 352.46508 |
SMILES | C(CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](OC(C2)=CCCCC(O)=O)1)CC |
Physicochemical Information | |
Spectral Information | |
Mass Spectra | 11,15-BIS(TRIMETHYLSILYL) ETHER METHYL ESTER ; 495(M+-CH3), 479, 439, 423, 349, 327, 323, 315, 313, 199, 173 Johnson_RA et al. |
UV Spectra | |
IR Spectra | METHYL ESTER ; LIQUID MELT n 3370, 1740, 1695cm-1 Johnson_RA et al. |
NMR Spectra | 1-H-NMR(D2O, GLYCINE BUFFER, pH10.4) : d 5.60(m, 2H, 13,14-CH), 4.66(m, 1H, 9-CH), 4.39(t, 1H, 5-CH), 4.15(q, 1H, 15-CH), 3.97(q, 1H, 11-CH), 2.20(t, 2H, 2-CH2) KotovychGet al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||||||||||||
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