| SpectraBase Compound ID | 7v6VJUWJcvN |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13(22)24-20-9-8-19-18-7-6-14-12-15(23)4-3-5-16(14)17(18)10-11-21(19,20)2/h14,16-20H,3-12H2,1-2H3 |
| InChIKey | FDJCIZHLYOPJJT-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 | Fzyc3YfqN8B |
|---|---|
| Name | 17Beta-acetoxy-A-homo-5alpha-estran-4-one |
| 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)24-20-9-8-19-18-7-6-14-12-15(23)4-3-5-16(14)17(18)10-11-21(19,20)2/h14,16-20H,3-12H2,1-2H3 |
| InChIKey | FDJCIZHLYOPJJT-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | C12C(CCC3C2CCC2(C3CCC2OC(=O)C)C)CC(CCC1)=O |