![(22S / 22R)- 3.beta.-[(T-butyl)dimethylsilyloxy]-5,16-cholestadien-23-yn-22,25-diol](/api/spectrum/HvUrJIA3bLL/structure.png?h=300&w=458 "(22S / 22R)- 3.beta.-[(T-butyl)dimethylsilyloxy]-5,16-cholestadien-23-yn-22,25-diol")
| SpectraBase Compound ID | GQP0BBpa9zG |
|---|---|
| InChI | InChI=1S/C33H54O3Si/c1-22(29(34)17-18-31(5,6)35)26-13-14-27-25-12-11-23-21-24(36-37(9,10)30(2,3)4)15-19-32(23,7)28(25)16-20-33(26,27)8/h11,13,22,24-25,27-29,34-35H,12,14-16,19-21H2,1-10H3/t22-,24-,25-,27-,28-,29-,32-,33+/m0/s1 |
| InChIKey | DBNGGUZOPZNWNM-UZHANGTRSA-N |
| Mol Weight | 526.9 g/mol |
| Molecular Formula | C33H54O3Si |
| Exact Mass | 526.384222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvUrJIA3bLL |
|---|---|
| Name | (22S / 22R)- 3.beta.-[(T-butyl)dimethylsilyloxy]-5,16-cholestadien-23-yn-22,25-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 526.384222131 u |
| Formula | C33H54O3Si |
| InChI | InChI=1S/C33H54O3Si/c1-22(29(34)17-18-31(5,6)35)26-13-14-27-25-12-11-23-21-24(36-37(9,10)30(2,3)4)15-19-32(23,7)28(25)16-20-33(26,27)8/h11,13,22,24-25,27-29,34-35H,12,14-16,19-21H2,1-10H3/t22-,24-,25-,27-,28-,29-,32-,33+/m0/s1 |
| InChIKey | DBNGGUZOPZNWNM-UZHANGTRSA-N |
| Molecular Weight | 526.877 g/mol |
| SMILES | [C@@]12(C(=CC[C@]2([C@@]2(CC=C3[C@@]([C@]2(CC1)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C3)[H])C)[H])[H])[C@@]([C@](C#CC(O)(C)C)(O)[H])(C)[H])C |