| SpectraBase Compound ID | IQUbu49qxKG |
|---|---|
| InChI | InChI=1S/C23H35NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h10,12,14-15,18-21H,6-9,11,13H2,1-5H3/t15-,18-,19+,20-,21-,22-,23+/m0/s1 |
| InChIKey | SGBLZTLTOQYIDO-CZWIXHKBSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C23H35NO |
| Exact Mass | 341.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fq1meNsMST9 |
|---|---|
| Name | Pregna-1,4-dien-3-one, 20-(dimethylamino)-, (20S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.271864750 u |
| Formula | C23H35NO |
| InChI | InChI=1S/C23H35NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h10,12,14-15,18-21H,6-9,11,13H2,1-5H3/t15-,18-,19+,20-,21-,22-,23+/m0/s1 |
| InChIKey | SGBLZTLTOQYIDO-CZWIXHKBSA-N |
| Molecular Weight | 341.539 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(C=CC(=O)C4)C)[H])(CC[C@@]1([C@@](N(C)C)(C)[H])[H])[H])C |