| SpectraBase Compound ID | LTnnXY5S0qt |
|---|---|
| InChI | InChI=1S/C25H42O3/c1-16(26)25(27)14-11-21-19-8-7-17-15-18(28-22(2,3)4)9-12-23(17,5)20(19)10-13-24(21,25)6/h17-21,27H,7-15H2,1-6H3/t17-,18-,19+,20-,21-,23-,24-,25-/m0/s1 |
| InChIKey | KNFAQQYYICPEEN-XQGASDRYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C25H42O3 |
| Exact Mass | 390.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UokLp8N63C |
|---|---|
| Name | 3.beta.-Tert-butoxy-17.alpha.-hydroxy-5.alpha.-pregnan-20-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.313395209 u |
| Formula | C25H42O3 |
| InChI | InChI=1S/C25H42O3/c1-16(26)25(27)14-11-21-19-8-7-17-15-18(28-22(2,3)4)9-12-23(17,5)20(19)10-13-24(21,25)6/h17-21,27H,7-15H2,1-6H3/t17-,18-,19+,20-,21-,23-,24-,25-/m0/s1 |
| InChIKey | KNFAQQYYICPEEN-XQGASDRYSA-N |
| Molecular Weight | 390.608 g/mol |
| SMILES | [C@@]12([C@](CC[C@]2([C@@]2(CC[C@@]3([C@@]([C@]2(CC1)[H])(CC[C@](OC(C)(C)C)(C3)[H])C)[H])[H])[H])(C(=O)C)O)C |