| SpectraBase Compound ID | G3IKFVeadNe |
|---|---|
| InChI | InChI=1S/C30H52O2Si/c1-20(2)9-14-28(32-33(6,7)8)21(3)25-12-13-26-24-11-10-22-19-23(31)15-17-29(22,4)27(24)16-18-30(25,26)5/h19-21,24-28H,9-18H2,1-8H3/t21-,24-,25+,26-,27-,28?,29-,30+/m0/s1 |
| InChIKey | MNQCLSQWCTWEBG-VXTMVCMZSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C30H52O2Si |
| Exact Mass | 472.373657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GAVqqqTqeHX |
|---|---|
| Name | (22R or 22S)-22-Trimethylsilyloxy-4-cholesten-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.373657447 u |
| Formula | C30H52O2Si |
| InChI | InChI=1S/C30H52O2Si/c1-20(2)9-14-28(32-33(6,7)8)21(3)25-12-13-26-24-11-10-22-19-23(31)15-17-29(22,4)27(24)16-18-30(25,26)5/h19-21,24-28H,9-18H2,1-8H3/t21-,24-,25+,26-,27-,28?,29-,30+/m0/s1 |
| InChIKey | MNQCLSQWCTWEBG-VXTMVCMZSA-N |
| Molecular Weight | 472.829 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](C(O[Si](C)(C)C)CCC(C)C)(C)[H])[H])[H])C |