| SpectraBase Compound ID | iWxLqCIFWT |
|---|---|
| InChI | InChI=1S/C23H34N2O2/c1-15(24-26-4)19-8-9-20-18-7-6-16-14-17(25-27-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h8,14,18,20-21H,6-7,9-13H2,1-5H3/b24-15+,25-17+/t18-,20-,21-,22-,23+/m0/s1 |
| InChIKey | SUJFRLOHJHMENY-OCWGINBSSA-N |
| Mol Weight | 370.5 g/mol |
| Molecular Formula | C23H34N2O2 |
| Exact Mass | 370.262028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pgyecy99G1 |
|---|---|
| Name | Pregn-4,16-diene-3,20-dione dimethoxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.262028341 u |
| Formula | C23H34N2O2 |
| InChI | InChI=1S/C23H34N2O2/c1-15(24-26-4)19-8-9-20-18-7-6-16-14-17(25-27-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h8,14,18,20-21H,6-7,9-13H2,1-5H3/b24-15+,25-17+/t18-,20-,21-,22-,23+/m0/s1 |
| InChIKey | SUJFRLOHJHMENY-OCWGINBSSA-N |
| Molecular Weight | 370.537 g/mol |
| SMILES | [C@@]12(C(=CC[C@]2([C@@]2(CCC=3[C@@]([C@]2(CC1)[H])(CC\C(=N/OC)C3)C)[H])[H])\C(=N\OC)C)C |