| SpectraBase Compound ID | 2OiB81a18Yj |
|---|---|
| InChI | InChI=1S/C26H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(29)24(21-28)27-26(30)31-22-23-18-15-14-16-19-23/h14-16,18-19,24-25,28-29H,2-13,17,20-22H2,1H3,(H,27,30)/t24-,25+/m0/s1 |
| InChIKey | CPOVNSASEYRGDG-LOSJGSFVSA-N |
| Mol Weight | 435.6 g/mol |
| Molecular Formula | C26H45NO4 |
| Exact Mass | 435.334859 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 | JAOUDDqmts0 |
|---|---|
| Name | N-Carbobenzoxy sphinganine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.334858929 u |
| Formula | C26H45NO4 |
| InChI | InChI=1S/C26H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(29)24(21-28)27-26(30)31-22-23-18-15-14-16-19-23/h14-16,18-19,24-25,28-29H,2-13,17,20-22H2,1H3,(H,27,30)/t24-,25+/m0/s1 |
| InChIKey | CPOVNSASEYRGDG-LOSJGSFVSA-N |
| Molecular Weight | 435.649 g/mol |
| SMILES | C(N[C@]([C@](O)(CCCCCCCCCCCCCCC)[H])(CO)[H])(=O)OCC1=CC=CC=C1 |