| SpectraBase Compound ID | KmnJllhnJ6I |
|---|---|
| InChI | InChI=1S/C21H32O/c1-4-16-19(22)13-18-15-9-8-14-7-5-6-11-20(14,2)17(15)10-12-21(16,18)3/h4,14-15,17-18H,5-13H2,1-3H3/b16-4- |
| InChIKey | CVSFVOBAQUNCEZ-XRVIQIRUSA-N |
| Mol Weight | 300.5 g/mol |
| Molecular Formula | C21H32O |
| Exact Mass | 300.245316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMrAj58oSFY |
|---|---|
| Name | Pregn-17(20)-en-16-one, (5.alpha.,17E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.245315649 u |
| Formula | C21H32O |
| InChI | InChI=1S/C21H32O/c1-4-16-19(22)13-18-15-9-8-14-7-5-6-11-20(14,2)17(15)10-12-21(16,18)3/h4,14-15,17-18H,5-13H2,1-3H3/b16-4- |
| InChIKey | CVSFVOBAQUNCEZ-XRVIQIRUSA-N |
| SMILES | C\C=C\1C(=O)CC2C3CCC4CCCCC4(C)C3CCC12C |