| SpectraBase Compound ID | LehJvi1flSA |
|---|---|
| InChI | InChI=1S/C22H39NO/c1-5-15-6-7-18-17-9-13-22(24)14-16(23-4)8-12-21(22,3)19(17)10-11-20(15,18)2/h15-19,23-24H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20+,21+,22+/m0/s1 |
| InChIKey | VAZFICXDOOJIAN-VULCCYQJSA-N |
| Mol Weight | 333.6 g/mol |
| Molecular Formula | C22H39NO |
| Exact Mass | 333.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JF2PSeh8xoW |
|---|---|
| Name | 3.alpha.-Methylamino-5.alpha.-hydroxy-pregnane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.303164879 u |
| Formula | C22H39NO |
| InChI | InChI=1S/C22H39NO/c1-5-15-6-7-18-17-9-13-22(24)14-16(23-4)8-12-21(22,3)19(17)10-11-20(15,18)2/h15-19,23-24H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20+,21+,22+/m0/s1 |
| InChIKey | VAZFICXDOOJIAN-VULCCYQJSA-N |
| Molecular Weight | 333.560 g/mol |
| SMILES | [C@@]12([C@](C[C@@](CC2)(NC)[H])(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(CC)[H])[H])[H])O)C |