| SpectraBase Compound ID | 9e4tr2tRL8g |
|---|---|
| InChI | InChI=1S/C24H40O3Si/c1-16(27-28(4,5)6)24(26)14-11-21-19-8-7-17-15-18(25)9-12-22(17,2)20(19)10-13-23(21,24)3/h15-16,19-21,26H,7-14H2,1-6H3/t16-,19+,20-,21-,22-,23-,24-/m0/s1 |
| InChIKey | CQPFXRSIALHNTM-XKZOHVQRSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C24H40O3Si |
| Exact Mass | 404.274672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEwzjzSeXLH |
|---|---|
| Name | 4-Pregnen-17.alpha., 20.alpha.-diol-3-one, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.274671680 u |
| Formula | C24H40O3Si |
| InChI | InChI=1S/C24H40O3Si/c1-16(27-28(4,5)6)24(26)14-11-21-19-8-7-17-15-18(25)9-12-22(17,2)20(19)10-13-23(21,24)3/h15-16,19-21,26H,7-14H2,1-6H3/t16-,19+,20-,21-,22-,23-,24-/m0/s1 |
| InChIKey | CQPFXRSIALHNTM-XKZOHVQRSA-N |
| Molecular Weight | 404.666 g/mol |
| SMILES | C1(CC[C@@]2(C)C(=C1)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])([C@](C)(O[Si](C)(C)C)[H])O)[H])[H])=O |