| SpectraBase Compound ID | 6SuCQFBlFAf |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h8,13-16,18,22-23H,3-7,9-12H2,1-2H3/t13-,14-,15+,16+,18-,20+,21+/m1/s1 |
| InChIKey | IMRLUGWMFGADLZ-CGSFFPOUSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vcshy1iw31 |
|---|---|
| Name | 3Alpha,21-dihydroxy-5beta-pregn-9(11)-en-20-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h8,13-16,18,22-23H,3-7,9-12H2,1-2H3/t13-,14-,15+,16+,18-,20+,21+/m1/s1 |
| InChIKey | IMRLUGWMFGADLZ-CGSFFPOUSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | O[C@]1(C[C@]2(CC[C@]3([C@@]4(CC[C@](C(CO)=O)([C@]4(CC=C3[C@]2(CC1)C)C)[H])[H])[H])[H])[H] |