| SpectraBase Compound ID | EHt6vxifd76 |
|---|---|
| InChI | InChI=1S/C28H51N/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-21(18-29)13-15-27(22,4)26(23)14-16-28(24,25)5/h19-26H,6-18,29H2,1-5H3 |
| InChIKey | YYGAFSDGRDQHGJ-UHFFFAOYSA-N |
| Mol Weight | 401.7 g/mol |
| Molecular Formula | C28H51N |
| Exact Mass | 401.402151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IExHEMe7Sym |
|---|---|
| Name | Cholestan-3.alpha.-methamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.402150646 u |
| Formula | C28H51N |
| InChI | InChI=1S/C28H51N/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-21(18-29)13-15-27(22,4)26(23)14-16-28(24,25)5/h19-26H,6-18,29H2,1-5H3 |
| InChIKey | YYGAFSDGRDQHGJ-UHFFFAOYSA-N |
| Molecular Weight | 401.723 g/mol |
| SMILES | C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)CCCC(C)C)C)C)CN |