![22-Acetoxy-3.beta.-[(t-butyldimethylsilyl)oxy]-5.alpha.-23,24-bisnorcholan-15-.alpha.-ol](/api/spectrum/2ftxXZKD85V/structure.png?h=300&w=458 "22-Acetoxy-3.beta.-[(t-butyldimethylsilyl)oxy]-5.alpha.-23,24-bisnorcholan-15-.alpha.-ol")
| SpectraBase Compound ID | DcFxgbG4Fvs |
|---|---|
| InChI | InChI=1S/C30H54O4Si/c1-19(18-33-20(2)31)25-17-26(32)27-23-11-10-21-16-22(34-35(8,9)28(3,4)5)12-14-29(21,6)24(23)13-15-30(25,27)7/h19,21-27,32H,10-18H2,1-9H3/t19-,21+,22+,23-,24+,25?,26+,27+,29+,30-/m1/s1 |
| InChIKey | LQTACQUVWBJABA-BFFYFOFDSA-N |
| Mol Weight | 506.8 g/mol |
| Molecular Formula | C30H54O4Si |
| Exact Mass | 506.379137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ftxXZKD85V |
|---|---|
| Name | 22-Acetoxy-3.beta.-[(T-butyldimethylsilyl)oxy]-5.alpha.-23,24-bisnorcholan-15-.alpha.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 506.379136750 u |
| Formula | C30H54O4Si |
| InChI | InChI=1S/C30H54O4Si/c1-19(18-33-20(2)31)25-17-26(32)27-23-11-10-21-16-22(34-35(8,9)28(3,4)5)12-14-29(21,6)24(23)13-15-30(25,27)7/h19,21-27,32H,10-18H2,1-9H3/t19-,21+,22+,23-,24+,25?,26+,27+,29+,30-/m1/s1 |
| InChIKey | LQTACQUVWBJABA-BFFYFOFDSA-N |
| Molecular Weight | 506.843 g/mol |
| SMILES | [C@@]12([C@@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])[H])([C@@](O)(CC1[C@@](COC(=O)C)(C)[H])[H])[H])C |