| SpectraBase Compound ID | 7ANlNlH8quy |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-17,19,22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,19+,20-,21+/m0/s1 |
| InChIKey | DZQSDLAYGAWXEQ-BMPROBMOSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PlLYx7xkH6 |
|---|---|
| Name | 3.alpha-Hydroxy-5.beta.-pregnan-11-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.255880333 u |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-17,19,22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,19+,20-,21+/m0/s1 |
| InChIKey | DZQSDLAYGAWXEQ-BMPROBMOSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](O)(C4)[H])C)[H])[H])(CC[C@@]1(CC)[H])[H])C |