| SpectraBase Compound ID | DgD4g8mQ8Ot |
|---|---|
| InChI | InChI=1S/C28H50O5Si2/c1-27-15-14-19(32-34(4,5)6)16-18(27)10-11-20-21-12-13-22(28(21,2)17-23(29)24(20)27)25(26(30)31-3)33-35(7,8)9/h18-22,24-25H,10-17H2,1-9H3/t18-,19+,20-,21-,22+,24+,25+,27-,28-/m0/s1 |
| InChIKey | BGLHLWOTBNXIBL-RETIWSMBSA-N |
| Mol Weight | 522.9 g/mol |
| Molecular Formula | C28H50O5Si2 |
| Exact Mass | 522.319678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wgUmNz6FdV |
|---|---|
| Name | bis(Trimethylsilyl) derivative of methyl ester of 3.alpha.,20.beta.-dihydroxy-5.beta.-pregnen-11-one-21-oic acid or bis(trimethylsilyl) derivative of 17-deoxy-.beta.-cortolic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.319677775 u |
| Formula | C28H50O5Si2 |
| InChI | InChI=1S/C28H50O5Si2/c1-27-15-14-19(32-34(4,5)6)16-18(27)10-11-20-21-12-13-22(28(21,2)17-23(29)24(20)27)25(26(30)31-3)33-35(7,8)9/h18-22,24-25H,10-17H2,1-9H3/t18-,19+,20-,21-,22+,24+,25+,27-,28-/m0/s1 |
| InChIKey | BGLHLWOTBNXIBL-RETIWSMBSA-N |
| Molecular Weight | 522.873 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@](C(=O)OC)(O[Si](C)(C)C)[H])[H])[H])C |