| SpectraBase Compound ID | 6219wZvPu8E |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-12(21)14-6-7-15-13-4-5-17-18(22)9-11-20(17,3)16(13)8-10-19(14,15)2/h13-17H,4-11H2,1-3H3/t13?,14?,15?,16?,17-,19-,20-/m1/s1 |
| InChIKey | JWBFWFRCDNATCY-QBHRZVHSSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YsUIgLYs4S |
|---|---|
| Name | 4.beta.-A-nor-Pregnane-3,20-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-12(21)14-6-7-15-13-4-5-17-18(22)9-11-20(17,3)16(13)8-10-19(14,15)2/h13-17H,4-11H2,1-3H3/t13?,14?,15?,16?,17-,19-,20-/m1/s1 |
| InChIKey | JWBFWFRCDNATCY-QBHRZVHSSA-N |
| SMILES | [C@@]12(C3C(C4CCC([C@]4(CC3)C)C(=O)C)CC[C@@]2(C(=O)CC1)[H])C |