| SpectraBase Compound ID | 5yS9haiPt5M |
|---|---|
| InChI | InChI=1S/C23H42N2/c1-15(24)19-8-9-20-18-7-6-16-14-17(25(4)5)10-12-22(16,2)21(18)11-13-23(19,20)3/h15-21H,6-14,24H2,1-5H3/t15-,16+,17+,18+,19?,20+,21+,22+,23-/m1/s1 |
| InChIKey | VNIVBQUTGDGBOE-JNRLOZLRSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C23H42N2 |
| Exact Mass | 346.334799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IKlkbYSD3Ho |
|---|---|
| Name | 3.beta.-Dimethylamino-20.alpha.-amino-5.alpha.-pregnene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.334799360 u |
| Formula | C23H42N2 |
| InChI | InChI=1S/C23H42N2/c1-15(24)19-8-9-20-18-7-6-16-14-17(25(4)5)10-12-22(16,2)21(18)11-13-23(19,20)3/h15-21H,6-14,24H2,1-5H3/t15-,16+,17+,18+,19?,20+,21+,22+,23-/m1/s1 |
| InChIKey | VNIVBQUTGDGBOE-JNRLOZLRSA-N |
| Molecular Weight | 346.603 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](N(C)C)(C4)[H])C)[H])[H])(CCC1[C@](N)(C)[H])[H])C |