| SpectraBase Compound ID | 5a90Tf2SKyo |
|---|---|
| InChI | InChI=1S/C29H50O2Si/c1-20(9-8-10-21(2)31-32(5,6)7)25-13-14-26-24-12-11-22-19-23(30)15-17-28(22,3)27(24)16-18-29(25,26)4/h19-21,24-27H,8-18H2,1-7H3/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | XUPBXLKJFRDAOM-DOUXTHCPSA-N |
| Mol Weight | 458.8 g/mol |
| Molecular Formula | C29H50O2Si |
| Exact Mass | 458.358007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vev0SfnH8b |
|---|---|
| Name | (25Rs)-25-trimethylsilyloxy-27-nor-4-cholestene-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.358007383 u |
| Formula | C29H50O2Si |
| InChI | InChI=1S/C29H50O2Si/c1-20(9-8-10-21(2)31-32(5,6)7)25-13-14-26-24-12-11-22-19-23(30)15-17-28(22,3)27(24)16-18-29(25,26)4/h19-21,24-27H,8-18H2,1-7H3/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | XUPBXLKJFRDAOM-DOUXTHCPSA-N |
| Molecular Weight | 458.802 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@](CCCC(O[Si](C)(C)C)C)(C)[H])[H])[H])C |