| SpectraBase Compound ID | CSSJ9rr4dX7 |
|---|---|
| InChI | InChI=1S/C43H78NO6P.C6H15N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-42(45)44-40(38-49-51(47)48)41(50-43(46)39-34-30-29-31-35-39)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2;1-4-7(5-2)6-3/h29-31,34-35,40-41,51H,3-28,32-33,36-38H2,1-2H3,(H,44,45)(H,47,48);4-6H2,1-3H3 |
| InChIKey | HZBLQCLOURJGKP-UHFFFAOYSA-N |
| Mol Weight | 837.3 g/mol |
| Molecular Formula | C49H93N2O6P |
| Exact Mass | 836.677126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Baa5Qhj0dgJ |
|---|---|
| Name | 3-Benzoyl-2-stearoyl-rac-sfinganin-1-H-phosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 836.677125715 u |
| Formula | C49H93N2O6P |
| InChI | InChI=1S/C43H78NO6P.C6H15N/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-42(45)44-40(38-49-51(47)48)41(50-43(46)39-34-30-29-31-35-39)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2;1-4-7(5-2)6-3/h29-31,34-35,40-41,51H,3-28,32-33,36-38H2,1-2H3,(H,44,45)(H,47,48);4-6H2,1-3H3 |
| InChIKey | HZBLQCLOURJGKP-UHFFFAOYSA-N |
| Molecular Weight | 837.265 g/mol |
| SMILES | C([NH+](CC)CC)C.N(C(COP(=O)[O-])C(OC(=O)c1ccccc1)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC |