| SpectraBase Compound ID | 77w5V9wSKGy |
|---|---|
| InChI | InChI=1S/C21H33BrO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey | PXGRRFKGFYPSCE-FAIYVORSSA-N |
| Mol Weight | 413.4 g/mol |
| Molecular Formula | C21H33BrO3 |
| Exact Mass | 412.161308 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMSC2lLwxUs |
|---|---|
| Name | 21-Bromo-3 α,17-dihydroxy-5 β-pregnan-20-one |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33BrO3 |
| InChI | InChI=1S/C21H33BrO3/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey | PXGRRFKGFYPSCE-FAIYVORSSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41620M |
| Solvent | CDCl3 |