| SpectraBase Compound ID | Fy0ygI9qXKK |
|---|---|
| InChI | InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23) |
| InChIKey | CZWCKYRVOZZJNM-UHFFFAOYSA-N |
| Mol Weight | 368.49 g/mol |
| Molecular Formula | C19H28O5S |
| Exact Mass | 368.165745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmVTuxOHLeu |
|---|---|
| Name | Prasterone-3-sulfate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.165745171 u |
| Formula | C19H28O5S |
| InChI | InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23) |
| InChIKey | CZWCKYRVOZZJNM-UHFFFAOYSA-N |
| Molecular Weight | 368.488 g/mol |
| SMILES | OS(O[C@@]1(CC2=CC[C@@]3([C@@]([C@]2(CC1)C)(CC[C@]1([C@]3(CCC1=O)[H])C)[H])[H])[H])(=O)=O |