| SpectraBase Compound ID | DuyaOj9gfRg |
|---|---|
| InChI | InChI=1S/C21H32O/c1-13(22)16-4-5-17-15-7-11-21-12-14(21)6-10-20(21,3)18(15)8-9-19(16,17)2/h14-18H,4-12H2,1-3H3/t14-,15?,16?,17?,18?,19?,20?,21?/m1/s1 |
| InChIKey | NDOGHGPXASMNSD-KAQLWRARSA-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 | ea0YFkVPU9 |
|---|---|
| Name | 3Alpha,5-cyclo-5alpha-pregnan-20-one |
| 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/c1-13(22)16-4-5-17-15-7-11-21-12-14(21)6-10-20(21,3)18(15)8-9-19(16,17)2/h14-18H,4-12H2,1-3H3/t14-,15?,16?,17?,18?,19?,20?,21?/m1/s1 |
| InChIKey | NDOGHGPXASMNSD-KAQLWRARSA-N |
| SMILES | C1C2(C3CCC4(C(CCC4C3CCC22C[C@]2(C1)[H])C(C)=O)C)C |