| SpectraBase Compound ID | I8e6GI6Mz08 |
|---|---|
| InChI | InChI=1S/C25H44O2Si/c1-17(26)20-10-11-21-19-9-8-18-16-23(2,27-28(5,6)7)14-15-24(18,3)22(19)12-13-25(20,21)4/h18-22H,8-16H2,1-7H3/t18-,19-,20+,21-,22-,23+,24-,25+/m0/s1 |
| InChIKey | CIGVABPMIBYMBN-BCHAGZICSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C25H44O2Si |
| Exact Mass | 404.311057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7FT40QyuBeI |
|---|---|
| Name | Ganaxolone, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.311057190 u |
| Formula | C25H44O2Si |
| InChI | InChI=1S/C25H44O2Si/c1-17(26)20-10-11-21-19-9-8-18-16-23(2,27-28(5,6)7)14-15-24(18,3)22(19)12-13-25(20,21)4/h18-22H,8-16H2,1-7H3/t18-,19-,20+,21-,22-,23+,24-,25+/m0/s1 |
| InChIKey | CIGVABPMIBYMBN-BCHAGZICSA-N |
| Molecular Weight | 404.710 g/mol |
| SMILES | [C@]1(CC[C@@]2(C)[C@](C1)(CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(C(C)=O)[H])[H])[H])[H])(C)O[Si](C)(C)C |