| SpectraBase Compound ID | 1ZUAszbz0kb |
|---|---|
| InChI | InChI=1S/C31H60O3Si2/c1-10-20-35(6,7)33-23(3)31(32)19-16-28-26-13-12-24-22-25(34-36(8,9)21-11-2)14-17-29(24,4)27(26)15-18-30(28,31)5/h23-28,32H,10-22H2,1-9H3/t23-,24+,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | UMFMCFMFYADCII-AKYLSBNYSA-N |
| Mol Weight | 537.0 g/mol |
| Molecular Formula | C31H60O3Si2 |
| Exact Mass | 536.408099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sBO1jpUYaR |
|---|---|
| Name | 5.beta.-Pregnan-3.alpha.,17.alpha.,20.alpha.-triol, 3,20-bis(dimethylpropylsilyl) ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 536.408098859 u |
| Formula | C31H60O3Si2 |
| InChI | InChI=1S/C31H60O3Si2/c1-10-20-35(6,7)33-23(3)31(32)19-16-28-26-13-12-24-22-25(34-36(8,9)21-11-2)14-17-29(24,4)27(26)15-18-30(28,31)5/h23-28,32H,10-22H2,1-9H3/t23-,24+,25+,26+,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | UMFMCFMFYADCII-AKYLSBNYSA-N |
| Molecular Weight | 536.988 g/mol |
| SMILES | [C@@]12([C@@]([C@@](O[Si](CCC)(C)C)(C)[H])(CC[C@]2([C@@]2(CC[C@]3([C@@]([C@]2(CC1)[H])(CC[C@@](O[Si](CCC)(C)C)(C3)[H])C)[H])[H])[H])O)C |