| SpectraBase Compound ID | LNIBHvnqvmw |
|---|---|
| InChI | InChI=1S/C21H36O3/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/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19-,20+,21+/m1/s1 |
| InChIKey | KTOAERDTKFSYSF-PPAWMHNQSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKu7anu48VT |
|---|---|
| Name | 5β-pregnane-3α,20β,21-triol |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/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/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19-,20+,21+/m1/s1 |
| InChIKey | KTOAERDTKFSYSF-PPAWMHNQSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 39959M |
| Solvent | Polysol |