| SpectraBase Compound ID | GndI5kCE0Ik |
|---|---|
| InChI | InChI=1S/C29H46O3Si/c1-19(32-33(8,9)27(3,4)5)24-12-13-25-23-11-10-21-18-22(31-20(2)30)14-16-28(21,6)26(23)15-17-29(24,25)7/h10,12,22-23,25-26H,1,11,13-18H2,2-9H3/t22-,23-,25-,26-,28-,29+/m0/s1 |
| InChIKey | ZOYPBQSJSZMPAP-YVBNVJAJSA-N |
| Mol Weight | 470.8 g/mol |
| Molecular Formula | C29H46O3Si |
| Exact Mass | 470.321622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JftTx70e9d |
|---|---|
| Name | 3.beta.-Acetoxy-20-(tert-butyldimethylsilyl)oxypregna-5,16,20-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.321621873 u |
| Formula | C29H46O3Si |
| InChI | InChI=1S/C29H46O3Si/c1-19(32-33(8,9)27(3,4)5)24-12-13-25-23-11-10-21-18-22(31-20(2)30)14-16-28(21,6)26(23)15-17-29(24,25)7/h10,12,22-23,25-26H,1,11,13-18H2,2-9H3/t22-,23-,25-,26-,28-,29+/m0/s1 |
| InChIKey | ZOYPBQSJSZMPAP-YVBNVJAJSA-N |
| Molecular Weight | 470.769 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(CC=C(C(=C)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@]21[H])[H])[H])C)(OC(=O)C)[H] |