![(20S)-3.beta.-(Dimethyl(t-butyl)silyloxy]-16-oxo-5.alpha.-pregnane-20-carbonitrile](/api/spectrum/6enGn6AYmbN/structure.png?h=300&w=458 "(20S)-3.beta.-(Dimethyl(t-butyl)silyloxy]-16-oxo-5.alpha.-pregnane-20-carbonitrile")
| SpectraBase Compound ID | 6jBbo0TTWFY |
|---|---|
| InChI | InChI=1S/C28H47NO2Si/c1-18(17-29)25-24(30)16-23-21-10-9-19-15-20(31-32(7,8)26(2,3)4)11-13-27(19,5)22(21)12-14-28(23,25)6/h18-23,25H,9-16H2,1-8H3/t18-,19+,20+,21-,22+,23+,25+,27+,28+/m1/s1 |
| InChIKey | UFVYJEZKFKPAFO-VSKDGVHKSA-N |
| Mol Weight | 457.8 g/mol |
| Molecular Formula | C28H47NO2Si |
| Exact Mass | 457.337606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6enGn6AYmbN |
|---|---|
| Name | (20S)-3.beta.-(Dimethyl(T-butyl)silyloxy]-16-oxo-5.alpha.-pregnane-20-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 457.337606290 u |
| Formula | C28H47NO2Si |
| InChI | InChI=1S/C28H47NO2Si/c1-18(17-29)25-24(30)16-23-21-10-9-19-15-20(31-32(7,8)26(2,3)4)11-13-27(19,5)22(21)12-14-28(23,25)6/h18-23,25H,9-16H2,1-8H3/t18-,19+,20+,21-,22+,23+,25+,27+,28+/m1/s1 |
| InChIKey | UFVYJEZKFKPAFO-VSKDGVHKSA-N |
| Molecular Weight | 457.774 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])[H])(CC([C@@]1([C@@](C#N)(C)[H])[H])=O)[H])C |