![3-{[(T-butyl)dimethylsilyl]oxy}-pregn-17(20)-en-16-yl acetate](/api/spectrum/I5uJjCML86X/structure.png?h=300&w=458 "3-{[(T-butyl)dimethylsilyl]oxy}-pregn-17(20)-en-16-yl acetate")
| SpectraBase Compound ID | J1aX0YHApKx |
|---|---|
| InChI | InChI=1S/C29H50O3Si/c1-10-23-26(31-19(2)30)18-25-22-12-11-20-17-21(32-33(8,9)27(3,4)5)13-15-28(20,6)24(22)14-16-29(23,25)7/h10,20-22,24-26H,11-18H2,1-9H3/b23-10+/t20?,21?,22?,24?,25?,26?,28-,29+/m0/s1 |
| InChIKey | GTRGOTGRHVWNBG-GLXUMHPKSA-N |
| Mol Weight | 474.8 g/mol |
| Molecular Formula | C29H50O3Si |
| Exact Mass | 474.352922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5uJjCML86X |
|---|---|
| Name | 3-{[(T-butyl)dimethylsilyl]oxy}-pregn-17(20)-en-16-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.352922002 u |
| Formula | C29H50O3Si |
| InChI | InChI=1S/C29H50O3Si/c1-10-23-26(31-19(2)30)18-25-22-12-11-20-17-21(32-33(8,9)27(3,4)5)13-15-28(20,6)24(22)14-16-29(23,25)7/h10,20-22,24-26H,11-18H2,1-9H3/b23-10+/t20?,21?,22?,24?,25?,26?,28-,29+/m0/s1 |
| InChIKey | GTRGOTGRHVWNBG-GLXUMHPKSA-N |
| Molecular Weight | 474.801 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CCC(O[Si](C(C)(C)C)(C)C)C4)C)CC(\C1=C\C)OC(=O)C)C |