| SpectraBase Compound ID | CnUOHqtNrHN |
|---|---|
| InChI | InChI=1S/C30H54O2Si/c1-20(2)10-9-11-21(3)24-12-13-25-28-26(15-17-30(24,25)5)29(4)16-14-23(32-33(6,7)8)18-22(29)19-27(28)31/h20-26,28H,9-19H2,1-8H3/t21-,22-,23+,24-,25+,26?,28+,29+,30-/m1/s1 |
| InChIKey | BFDYAROMRJJUOB-MNLSKUBVSA-N |
| Mol Weight | 474.8 g/mol |
| Molecular Formula | C30H54O2Si |
| Exact Mass | 474.389308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HkfA8FQRhT |
|---|---|
| Name | 3B-Hydroxy-5A-cholestane-6-one tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.389307512 u |
| Formula | C30H54O2Si |
| InChI | InChI=1S/C30H54O2Si/c1-20(2)10-9-11-21(3)24-12-13-25-28-26(15-17-30(24,25)5)29(4)16-14-23(32-33(6,7)8)18-22(29)19-27(28)31/h20-26,28H,9-19H2,1-8H3/t21-,22-,23+,24-,25+,26?,28+,29+,30-/m1/s1 |
| InChIKey | BFDYAROMRJJUOB-MNLSKUBVSA-N |
| Molecular Weight | 474.845 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(C(C[C@@]4([C@@](C3CC2)(CC[C@](O[Si](C)(C)C)(C4)[H])C)[H])=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |