| SpectraBase Compound ID | EJY8QHv1WVp |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-5-6-23(27)28-18-11-13-24(3)17(15-18)7-8-19-21-10-9-20(16(2)26)25(21,4)14-12-22(19)24/h17-22H,5-15H2,1-4H3 |
| InChIKey | PUIZBERHCZCZJU-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yvUd8zQyq9 |
|---|---|
| Name | Pregnan-3.alpha.-ol-20-one, butyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.297745145 u |
| Formula | C25H40O3 |
| InChI | InChI=1S/C25H40O3/c1-5-6-23(27)28-18-11-13-24(3)17(15-18)7-8-19-21-10-9-20(16(2)26)25(21,4)14-12-22(19)24/h17-22H,5-15H2,1-4H3 |
| InChIKey | PUIZBERHCZCZJU-UHFFFAOYSA-N |
| Molecular Weight | 388.592 g/mol |
| SMILES | C1CC2(C(CC1OC(CCC)=O)CCC1C2CCC2(C1CCC2C(=O)C)C)C |