| SpectraBase Compound ID | 1D7QgWzFQLA |
|---|---|
| InChI | InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,15-19,22H,5-13H2,1-3H3/b14-4+ |
| InChIKey | PETCQLIYOLSRPS-LNKIKWGQSA-N |
| Mol Weight | 302.5 g/mol |
| Molecular Formula | C21H34O |
| Exact Mass | 302.260966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xq2G8Ky7dZ |
|---|---|
| Name | 3.alpha.-Hydroxy-5.beta.-pregn-17(20)-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.260965714 u |
| Formula | C21H34O |
| InChI | InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,15-19,22H,5-13H2,1-3H3/b14-4+ |
| InChIKey | PETCQLIYOLSRPS-LNKIKWGQSA-N |
| SMILES | C12(C(C3C(C4(C)CCC(CC4CC3)O)CC2)CC\C1=C\C)C |