| SpectraBase Compound ID | 1hB8cKMAyIc |
|---|---|
| InChI | InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14,16,18-19H,4-5,7-12H2,1-3H3/t14?,16-,18-,19-,20-,21+/m0/s1 |
| InChIKey | WJYGBTBQRPGPTC-GLRFCKCYSA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KD0cuJcVKQp |
|---|---|
| Name | 16-Pregnen-3,20-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.224580204 u |
| Formula | C21H30O2 |
| InChI | InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14,16,18-19H,4-5,7-12H2,1-3H3/t14?,16-,18-,19-,20-,21+/m0/s1 |
| InChIKey | WJYGBTBQRPGPTC-GLRFCKCYSA-N |
| Molecular Weight | 314.469 g/mol |
| SMILES | C(=O)(C)C1=CC[C@@]2([C@]1(C)CC[C@@]1([C@@]3(C)CCC(=O)CC3CC[C@@]21[H])[H])[H] |