| SpectraBase Compound ID | 7LazMFvIevt |
|---|---|
| InChI | InChI=1S/C47H87N2O6P/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35-39-46(50)48-44(42-56(52,53)54-41-40-49(3)4)45(55-47(51)43-36-32-31-33-37-43)38-34-29-27-25-23-21-18-16-14-12-10-8-6-2/h31-33,36-37,44-45H,5-30,34-35,38-42H2,1-4H3,(H,48,50)(H,52,53) |
| InChIKey | XVZZSRUXWGDXHW-UHFFFAOYSA-N |
| Mol Weight | 807.2 g/mol |
| Molecular Formula | C47H87N2O6P |
| Exact Mass | 806.630176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7n1v0IFmGfU |
|---|---|
| Name | 3-Benzoyl-1-(beta-N,N-dimethylaminoethylphosphono)-2-stearoyl-1-deoxy-rac-sfingalin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 806.630175521 u |
| Formula | C47H87N2O6P |
| InChI | InChI=1S/C47H87N2O6P/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-35-39-46(50)48-44(42-56(52,53)54-41-40-49(3)4)45(55-47(51)43-36-32-31-33-37-43)38-34-29-27-25-23-21-18-16-14-12-10-8-6-2/h31-33,36-37,44-45H,5-30,34-35,38-42H2,1-4H3,(H,48,50)(H,52,53) |
| InChIKey | XVZZSRUXWGDXHW-UHFFFAOYSA-N |
| Molecular Weight | 807.195 g/mol |
| SMILES | N(C(CP(=O)(O)OCCN(C)C)C(CCCCCCCCCCCCCCC)OC(c1ccccc1)=O)C(=O)CCCCCCCCCCCCCCCCC |