| SpectraBase Compound ID | hXQhTEn8lX |
|---|---|
| InChI | InChI=1S/C21H30O/c1-4-21(22)12-8-17-15-6-11-20-13-14(20)5-9-18(20,2)16(15)7-10-19(17,21)3/h1,14-17,22H,5-13H2,2-3H3/t14-,15?,16?,17?,18?,19?,20?,21+/m1/s1 |
| InChIKey | XYODELJEWFUIKK-LMWDMMDESA-N |
| Mol Weight | 298.47 g/mol |
| Molecular Formula | C21H30O |
| Exact Mass | 298.229666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KF9Xadb9Hmr |
|---|---|
| Name | 3Alpha,5-cyclo-5alpha,17ALPHA-pregn-20-yn-17-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.229665585 u |
| Formula | C21H30O |
| InChI | InChI=1S/C21H30O/c1-4-21(22)12-8-17-15-6-11-20-13-14(20)5-9-18(20,2)16(15)7-10-19(17,21)3/h1,14-17,22H,5-13H2,2-3H3/t14-,15?,16?,17?,18?,19?,20?,21+/m1/s1 |
| InChIKey | XYODELJEWFUIKK-LMWDMMDESA-N |
| Molecular Weight | 298.470 g/mol |
| SMILES | O[C@]1(CCC2C3CCC45C[C@]4(CCC5(C3CCC12C)C)[H])C#C |