| SpectraBase Compound ID | HFhTpLhL8cQ |
|---|---|
| InChI | InChI=1S/C49H91N2O6P.C7H8O3S/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37-41-48(52)50-46(44-56-58(54-6)55-43-42-51(3,4)5)47(57-49(53)45-38-34-33-35-39-45)40-36-31-29-27-25-23-20-18-16-14-12-10-8-2;1-6-2-4-7(5-3-6)11(8,9)10/h33-35,38-39,46-47H,7-32,36-37,40-44H2,1-6H3;2-5H,1H3,(H,8,9,10) |
| InChIKey | XXKQXVSSZVZVJH-UHFFFAOYSA-N |
| Mol Weight | 1007.4 g/mol |
| Molecular Formula | C56H99N2O9PS |
| Exact Mass | 1006.680891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DCi06OV02mE |
|---|---|
| Name | (3-Benzoyl-2-stearoyl-rac-sfinganin-1-yl)methyl(2-trimethylammonioethyl)phosphite tosylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1006.680890939 u |
| Formula | C56H99N2O9PS |
| InChI | InChI=1S/C49H91N2O6P.C7H8O3S/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37-41-48(52)50-46(44-56-58(54-6)55-43-42-51(3,4)5)47(57-49(53)45-38-34-33-35-39-45)40-36-31-29-27-25-23-20-18-16-14-12-10-8-2;1-6-2-4-7(5-3-6)11(8,9)10/h33-35,38-39,46-47H,7-32,36-37,40-44H2,1-6H3;2-5H,1H3,(H,8,9,10) |
| InChIKey | XXKQXVSSZVZVJH-UHFFFAOYSA-N |
| Molecular Weight | 1007.447 g/mol |
| SMILES | c1(ccc(cc1)S(=O)([O-])=O)C.N(C(COP(OC)OCC[N+](C)(C)C)C(OC(=O)c1ccccc1)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC |