| SpectraBase Compound ID | Ab796jNfBWo |
|---|---|
| InChI | InChI=1S/C24H36O3/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/h6,17-21H,5,7-14H2,1-4H3 |
| InChIKey | YDVRGLSUPTYULK-UHFFFAOYSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C24H36O3 |
| Exact Mass | 372.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLH0zZT61Pj |
|---|---|
| Name | 5-Pregnen-3.beta.-ol-20-one, propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.266445016 u |
| Formula | C24H36O3 |
| InChI | InChI=1S/C24H36O3/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/h6,17-21H,5,7-14H2,1-4H3 |
| InChIKey | YDVRGLSUPTYULK-UHFFFAOYSA-N |
| Molecular Weight | 372.549 g/mol |
| SMILES | CCC(=O)OC1CC=2C(C3CCC4(C(C(C)=O)CCC4C3CC2)C)(CC1)C |