| SpectraBase Compound ID | JzeuMFezOBQ |
|---|---|
| InChI | InChI=1S/C27H47O3P.C6H15N/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(30-31(28)29)13-15-26(20,4)25(22)14-16-27(23,24)5;1-4-7(5-2)6-3/h9,18-19,21-25,31H,6-8,10-17H2,1-5H3,(H,28,29);4-6H2,1-3H3 |
| InChIKey | LQKOGQWBQMYESD-UHFFFAOYSA-N |
| Mol Weight | 551.8 g/mol |
| Molecular Formula | C33H62NO3P |
| Exact Mass | 551.446732 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 | 8JQpD82q3NZ |
|---|---|
| Name | Cholesterylphosphite, triethylammonium salt |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 551.446731855 u |
| Formula | C33H62NO3P |
| InChI | InChI=1S/C27H47O3P.C6H15N/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(30-31(28)29)13-15-26(20,4)25(22)14-16-27(23,24)5;1-4-7(5-2)6-3/h9,18-19,21-25,31H,6-8,10-17H2,1-5H3,(H,28,29);4-6H2,1-3H3 |
| InChIKey | LQKOGQWBQMYESD-UHFFFAOYSA-N |
| Molecular Weight | 551.837 g/mol |
| SMILES | C([NH+](CC)CC)C.C12C3(C(CC(CC3)OP(=O)[O-])=CCC1C1CCC(C1(CC2)C)C(C)CCCC(C)C)C |