| SpectraBase Compound ID | LU5SafW6JQQ |
|---|---|
| InChI | InChI=1S/C29H49NO2Si/c1-21(10-15-27(31)32-33(4,5)20-8-19-30)24-13-14-25-23-12-11-22-9-6-7-17-28(22,2)26(23)16-18-29(24,25)3/h21-26H,6-18,20H2,1-5H3/t21-,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | OBWOVLCLYPULBY-GDAWKKFSSA-N |
| Mol Weight | 471.8 g/mol |
| Molecular Formula | C29H49NO2Si |
| Exact Mass | 471.353256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | vsgH0MjePZ |
|---|---|
| Name | Cedms ester of cholanic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 471.353256355 u |
| Formula | C29H49NO2Si |
| InChI | InChI=1S/C29H49NO2Si/c1-21(10-15-27(31)32-33(4,5)20-8-19-30)24-13-14-25-23-12-11-22-9-6-7-17-28(22,2)26(23)16-18-29(24,25)3/h21-26H,6-18,20H2,1-5H3/t21-,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | OBWOVLCLYPULBY-GDAWKKFSSA-N |
| Molecular Weight | 471.801 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCC(O[Si](CCC#N)(C)C)=O)(C)[H])[H])[H])C |