| SpectraBase Compound ID | 14jxFubPzHb |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,13,15-18,22H,4-12H2,2H3 |
| InChIKey | OMGILQMNIZWNOK-UHFFFAOYSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJvkk8IcHuU |
|---|---|
| Name | 5.alpha.-Estran-17.alpha.-ethynyl-17.beta.-ol-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,13,15-18,22H,4-12H2,2H3 |
| InChIKey | OMGILQMNIZWNOK-UHFFFAOYSA-N |
| SMILES | C12(C(C3CCC4C(C3CC2)CCC(=O)C4)CCC1(C#C)O)C |