LBF20207TX03: Difference between revisions
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m (LBF20307TX03 moved to LBF20207TX03) |
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Revision as of 09:00, 16 December 2008
IDs and Links | |
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LipidBank | XPR2121 |
LipidMaps | LMFA03030004 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF20207TX03 |
11-DEHYDROTHROMBOXANE B2 | |
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Structural Information | |
7- [ Tetrahydro-4 (S) -hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -6-oxo-2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid | |
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Formula | C20H32O6 |
Exact Mass | 368.219888756 |
Average Mass | 368.46448 |
SMILES | C(CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1=O)O)CC=CCCCC(O)=O)CC |
Physicochemical Information | |
METHANOL, ETHYL ACETATE Roberts_LJ et al. | |
Spectral Information | |
Mass Spectra | METHYL ESTER BIS-TMS ETHER ; m/e 526(M+), 511, 455, 370, 295 Nelson_NA et al. |
UV Spectra | |
IR Spectra | METHYL ESTER ; CHLOROFORM solution, n 1730 cm-1 Nelson_NA et al. |
NMR Spectra | METHYL ESTER ; 1H-NMR(CDCl3) : d 5.86-5.78(m, 2H), 5.56-5.32(m, 2H), 5.13-4.72(m, 1H), 5.23-4.05(m, 2H), 3.67(S, 3H, OCH3) Nelson_NA et al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||||||||||||
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