| SpectraBase Compound ID | DYUp0H3VU9K |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13(22)16-6-7-17-18-5-4-14-12-15(23)8-9-20(14,3)21(18,24)11-10-19(16,17)2/h14,16-18,24H,4-12H2,1-3H3 |
| InChIKey | VXOUUUILWCQJGI-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 | AS5fdVj3IQc |
|---|---|
| Name | Allopregnan-9.alpha.-ol-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)16-6-7-17-18-5-4-14-12-15(23)8-9-20(14,3)21(18,24)11-10-19(16,17)2/h14,16-18,24H,4-12H2,1-3H3 |
| InChIKey | VXOUUUILWCQJGI-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | C1(CCC2(C(C1)CCC1C2(CCC2(C1CCC2C(=O)C)C)O)C)=O |