| SpectraBase Compound ID | D3F3JdXVDWC |
|---|---|
| InChI | InChI=1S/C30H52O2Si2/c1-28(2,3)33(8,9)31-22-13-15-23-21(20-22)12-14-25-24(23)18-19-30(7)26(25)16-17-27(30)32-34(10,11)29(4,5)6/h13,15,20,24-27H,12,14,16-19H2,1-11H3/t24-,25-,26+,27+,30+/m1/s1 |
| InChIKey | JFLALYDXWVIVJI-KACYJRNJSA-N |
| Mol Weight | 500.9 g/mol |
| Molecular Formula | C30H52O2Si2 |
| Exact Mass | 500.350584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSwYLwbILeG |
|---|---|
| Name | 17.beta.-Estradiol, 2tbdms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.350583982 u |
| Formula | C30H52O2Si2 |
| InChI | InChI=1S/C30H52O2Si2/c1-28(2,3)33(8,9)31-22-13-15-23-21(20-22)12-14-25-24(23)18-19-30(7)26(25)16-17-27(30)32-34(10,11)29(4,5)6/h13,15,20,24-27H,12,14,16-19H2,1-11H3/t24-,25-,26+,27+,30+/m1/s1 |
| InChIKey | JFLALYDXWVIVJI-KACYJRNJSA-N |
| Molecular Weight | 500.914 g/mol |
| SMILES | C1=C(O[Si](C)(C(C)(C)C)C)C=C2C(=C1)[C@@]1([C@@]([C@]3([C@](CC1)([C@](CC3)(O[Si](C(C)(C)C)(C)C)[H])C)[H])([H])CC2)[H] |