| SpectraBase Compound ID | 1aQnuIe8Yu8 |
|---|---|
| InChI | InChI=1S/C23H41NO/c1-6-15-7-9-17-16-8-10-19-21(25)20(24(4)5)12-14-23(19,3)18(16)11-13-22(15,17)2/h15-21,25H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,20-,21+,22+,23+/m0/s1 |
| InChIKey | UNYDPUNTQCZUTL-OKOHGEHWSA-N |
| Mol Weight | 347.6 g/mol |
| Molecular Formula | C23H41NO |
| Exact Mass | 347.318815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E3liUn5VvXW |
|---|---|
| Name | 3.beta.-Dimethylamino-4.beta.-hydroxy-5.alpha.-pregnane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.318814943 u |
| Formula | C23H41NO |
| InChI | InChI=1S/C23H41NO/c1-6-15-7-9-17-16-8-10-19-21(25)20(24(4)5)12-14-23(19,3)18(16)11-13-22(15,17)2/h15-21,25H,6-14H2,1-5H3/t15-,16-,17-,18-,19-,20-,21+,22+,23+/m0/s1 |
| InChIKey | UNYDPUNTQCZUTL-OKOHGEHWSA-N |
| Molecular Weight | 347.587 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(CC)[H])[H])([H])CC[C@]2([C@@](O)([C@](CC1)(N(C)C)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852889 |