| SpectraBase Compound ID | AcsAezljTMk |
|---|---|
| InChI | InChI=1S/C29H53N/c1-20(2)10-8-11-21(3)24-16-17-25-23-15-14-22-12-9-13-27(30(6)7)29(22,5)26(23)18-19-28(24,25)4/h20-27H,8-19H2,1-7H3/t21-,22-,23+,24-,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | KJHWWFXBJSNXFJ-KZBNDFJCSA-N |
| Mol Weight | 415.8 g/mol |
| Molecular Formula | C29H53N |
| Exact Mass | 415.417801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvFeFX09gny |
|---|---|
| Name | 1.alpha.-Dimethylamino-5.alpha.-cholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.417800711 u |
| Formula | C29H53N |
| InChI | InChI=1S/C29H53N/c1-20(2)10-8-11-21(3)24-16-17-25-23-15-14-22-12-9-13-27(30(6)7)29(22,5)26(23)18-19-28(24,25)4/h20-27H,8-19H2,1-7H3/t21-,22-,23+,24-,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | KJHWWFXBJSNXFJ-KZBNDFJCSA-N |
| Molecular Weight | 415.750 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])([C@@](N(C)C)(CCC4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |