| SpectraBase Compound ID | KYSivAhvuY5 |
|---|---|
| InChI | InChI=1S/C27H50O3Si2/c1-18(29-31(4,5)6)22-12-13-23-21-11-10-19-16-20(30-32(7,8)9)14-15-26(19,2)25(21)24(28)17-27(22,23)3/h18-23,25H,10-17H2,1-9H3/t18-,19-,20+,21-,22+,23-,25+,26-,27+/m0/s1 |
| InChIKey | JJALOUYEJHSQAY-ITTQCJJKSA-N |
| Mol Weight | 478.9 g/mol |
| Molecular Formula | C27H50O3Si2 |
| Exact Mass | 478.329849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ItShzSEdt73 |
|---|---|
| Name | 3,.alpha.,20.alpha.-di(Trimethylsiloxy)-5.alpha.-pregnane-11-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 478.329848537 u |
| Formula | C27H50O3Si2 |
| InChI | InChI=1S/C27H50O3Si2/c1-18(29-31(4,5)6)22-12-13-23-21-11-10-19-16-20(30-32(7,8)9)14-15-26(19,2)25(21)24(28)17-27(22,23)3/h18-23,25H,10-17H2,1-9H3/t18-,19-,20+,21-,22+,23-,25+,26-,27+/m0/s1 |
| InChIKey | JJALOUYEJHSQAY-ITTQCJJKSA-N |
| Molecular Weight | 478.864 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](O[Si](C)(C)C)(C)[H])[H])[H])C |