LBF18307TX01
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | XPR2111 |
LipidMaps | LMFA03030003 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF18307TX01.mol |
2,3-DINORTHROMBOXANE B2 | |
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Structural Information | |
Systematic Name | 5- [ Tetrahydro-4 (S) ,6-dihydroxy-2 (R) - (3 (S) -hydroxy-1 (E) -octenyl) -2H-pyran-3 (S) -yl ] -3 (Z) -pentenoic acid |
Common Name |
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Symbol | |
Formula | C18H30O6 |
Exact Mass | 342.204238692 |
Average Mass | 342.42719999999997 |
SMILES | [C@@H]([C@@H](CC=CCC(O)=O)1)(C=C[C@H](O)CCCCC)OC(O |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | ETHYL ACETATE, DIETHYL ETHER, DICHLOROMETHANE <<1057>> |
Spectral Information | |
Mass Spectra | METHYL ESTER TRIS-TMS ETHER ; m/e 557, 482, 467, 411, 338, 301, 295, 267, 228, 225, 217 <<1056>> |
UV Spectra | |
IR Spectra | |
NMR Spectra | METHYL ESTER ; 1H-NMR(CDCl3) : d 5.77-5.0(m, 6H), 4.50-3.96(m, 5H), 3.71(s, 3H, OCH3), 3.20-3.00(m, 2H) <<1057>> |
Chromatograms |