| SpectraBase Compound ID | AbcnB8dM67J |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14,16-18,24H,4-12H2,1-3H3 |
| InChIKey | UUOHXXXJRQGPLC-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XCMI1xpyOh |
|---|---|
| Name | 17.alpha.-Hydroxy-5.beta.-pregnan-3,20-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14,16-18,24H,4-12H2,1-3H3 |
| InChIKey | UUOHXXXJRQGPLC-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | C12(C(C3C(C4(CCC(CC4CC3)=O)C)CC2)CCC1(C(=O)C)O)C |