| SpectraBase Compound ID | PbremYTDSi |
|---|---|
| InChI | InChI=1S/C29H54N2O4Si2/c1-28-16-14-22(30-32-2)18-21(28)10-11-23-24(28)15-17-29(20-35-37(7,8)9)25(23)12-13-26(29)27(31-33-3)19-34-36(4,5)6/h21,23-26H,10-20H2,1-9H3/b30-22+,31-27+/t21-,23+,24+,25+,26-,28+,29-/m1/s1 |
| InChIKey | NBSLZELEANAIFR-LAILOUJSSA-N |
| Mol Weight | 550.9 g/mol |
| Molecular Formula | C29H54N2O4Si2 |
| Exact Mass | 550.362211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJmQlFFvYwk |
|---|---|
| Name | 18,21-Dihydroxy-5.beta.-pregnane-3,20-dione mo-tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 550.362211293 u |
| Formula | C29H54N2O4Si2 |
| InChI | InChI=1S/C29H54N2O4Si2/c1-28-16-14-22(30-32-2)18-21(28)10-11-23-24(28)15-17-29(20-35-37(7,8)9)25(23)12-13-26(29)27(31-33-3)19-34-36(4,5)6/h21,23-26H,10-20H2,1-9H3/b30-22+,31-27+/t21-,23+,24+,25+,26-,28+,29-/m1/s1 |
| InChIKey | NBSLZELEANAIFR-LAILOUJSSA-N |
| Molecular Weight | 550.931 g/mol |
| SMILES | [C@@]12([C@]([C@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC\C(=N/OC)C4)C)[H])[H])(CC[C@@]1(\C(CO[Si](C)(C)C)=N\OC)[H])[H])CO[Si](C)(C)C |