| SpectraBase Compound ID | FeGR7nL7x9P |
|---|---|
| InChI | InChI=1S/C22H36O2/c1-5-14-7-9-18-17-8-6-15-12-16(24-4)10-11-21(15,2)20(17)19(23)13-22(14,18)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,22+/m0/s1 |
| InChIKey | YHDPPSQSQMMWJA-PCQZIHKKSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C22H36O2 |
| Exact Mass | 332.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1LbyBeNWyE |
|---|---|
| Name | 3.alpha.-Methoxy-5.beta.-pregnan-11-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.271530397 u |
| Formula | C22H36O2 |
| InChI | InChI=1S/C22H36O2/c1-5-14-7-9-18-17-8-6-15-12-16(24-4)10-11-21(15,2)20(17)19(23)13-22(14,18)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,22+/m0/s1 |
| InChIKey | YHDPPSQSQMMWJA-PCQZIHKKSA-N |
| Molecular Weight | 332.528 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](OC)(C4)[H])C)[H])[H])(CC[C@@]1(CC)[H])[H])C |