| SpectraBase Compound ID | IrGj6CiYCoW |
|---|---|
| InChI | InChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1 |
| InChIKey | RHQQHZQUAMFINJ-DTDWNVJFSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aGuWHcmuuj |
|---|---|
| Name | 3α,11β,21-trihydroxy-5β-pregnan-20-one |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1 |
| InChIKey | RHQQHZQUAMFINJ-DTDWNVJFSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 39848M |
| Solvent | CDCl3 |