| SpectraBase Compound ID | CHwvVoDO3ov |
|---|---|
| InChI | InChI=1S/C24H38O3/c1-5-22(26)27-17-10-12-23(3)16(14-17)6-7-18-20-9-8-19(15(2)25)24(20,4)13-11-21(18)23/h16-21H,5-14H2,1-4H3 |
| InChIKey | RNWMUKCPAMDUIQ-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C24H38O3 |
| Exact Mass | 374.282095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2DzB6ucOxB |
|---|---|
| Name | Pregnan-3.alpha.-ol-20-one, propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.282095081 u |
| Formula | C24H38O3 |
| InChI | InChI=1S/C24H38O3/c1-5-22(26)27-17-10-12-23(3)16(14-17)6-7-18-20-9-8-19(15(2)25)24(20,4)13-11-21(18)23/h16-21H,5-14H2,1-4H3 |
| InChIKey | RNWMUKCPAMDUIQ-UHFFFAOYSA-N |
| Molecular Weight | 374.565 g/mol |
| SMILES | C1CC2(C(CC1OC(CC)=O)CCC1C2CCC2(C1CCC2C(=O)C)C)C |