| SpectraBase Compound ID | 6dslWqFigNT |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-19,24-25H,3-8,10H2,1-2H3/t14-,15-,16+,17-,18?,19+,20-,21-/m0/s1 |
| InChIKey | SNSWNKAIXNDOKX-LPQWTHIFSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kpmi8Yx2KV |
|---|---|
| Name | 11.beta.,20-Dihydroxy-3-oxopregn-4-en-21-al |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-19,24-25H,3-8,10H2,1-2H3/t14-,15-,16+,17-,18?,19+,20-,21-/m0/s1 |
| InChIKey | SNSWNKAIXNDOKX-LPQWTHIFSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3([C@](C2)(O)[H])[H])(CCC(=O)C4)C)[H])(CC[C@@]1(C(C=O)O)[H])[H])C |