| SpectraBase Compound ID | Ez1YYXu8kvw |
|---|---|
| InChI | InChI=1S/C45H83N2O7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-44(48)47-42(40-53-55(50,51)52-39-38-46)43(54-45(49)41-34-30-29-31-35-41)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-31,34-35,42-43H,3-28,32-33,36-40,46H2,1-2H3,(H,47,48)(H,50,51) |
| InChIKey | LIGJUGHQUHMVDV-UHFFFAOYSA-N |
| Mol Weight | 795.1 g/mol |
| Molecular Formula | C45H83N2O7P |
| Exact Mass | 794.59379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zwLvooeoR1 |
|---|---|
| Name | 3-Benzoyl-2-stearoyl-rac-sfinganin-1-(2-aminoethyl)phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 794.593790012 u |
| Formula | C45H83N2O7P |
| InChI | InChI=1S/C45H83N2O7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-44(48)47-42(40-53-55(50,51)52-39-38-46)43(54-45(49)41-34-30-29-31-35-41)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-31,34-35,42-43H,3-28,32-33,36-40,46H2,1-2H3,(H,47,48)(H,50,51) |
| InChIKey | LIGJUGHQUHMVDV-UHFFFAOYSA-N |
| Molecular Weight | 795.140 g/mol |
| SMILES | NCCOP(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)c1ccccc1)CCCCCCCCCCCCCCC)(=O)O |