LBF20307TX03
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | XPR2121 |
LipidMaps | LMFA03030004 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF20307TX03.mol |
11-DEHYDROTHROMBOXANE B2 | |
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Structural Information | |
Systematic Name | 7- [ Tetrahydro-4 (S) -hydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -6-oxo-2H-pyran-3 (S) -yl ] -5 (Z) -heptenoic acid |
Common Name |
|
Symbol | |
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=C |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | METHANOL, ETHYL ACETATE <<1058>> |
Spectral Information | |
Mass Spectra | METHYL ESTER BIS-TMS ETHER ; m/e 526(M+), 511, 455, 370, 295 <<1057>> |
UV Spectra | |
IR Spectra | METHYL ESTER ; CHLOROFORM solution, n 1730 cm-1 <<1057>> |
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)<<1057>> |
Chromatograms |