| SpectraBase Compound ID | 7ViSmQAXLMF |
|---|---|
| InChI | InChI=1S/C28H53NO3Si2/c1-19(29-30-4)22-11-12-23-26-24(14-16-28(22,23)3)27(2)15-13-21(31-33(5,6)7)17-20(27)18-25(26)32-34(8,9)10/h20-26H,11-18H2,1-10H3/b29-19-/t20-,21+,22+,23-,24-,25?,26-,27-,28+/m0/s1 |
| InChIKey | LCUQQUDLAMRPSH-BGYCHDCESA-N |
| Mol Weight | 507.9 g/mol |
| Molecular Formula | C28H53NO3Si2 |
| Exact Mass | 507.356398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hikwAxzhFy |
|---|---|
| Name | 5.beta.-Pregnane-3.alpha.,6.alpha.-diol-20-one-o-methyloxime bis(trimethylsilyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 507.356397638 u |
| Formula | C28H53NO3Si2 |
| InChI | InChI=1S/C28H53NO3Si2/c1-19(29-30-4)22-11-12-23-26-24(14-16-28(22,23)3)27(2)15-13-21(31-33(5,6)7)17-20(27)18-25(26)32-34(8,9)10/h20-26H,11-18H2,1-10H3/b29-19-/t20-,21+,22+,23-,24-,25?,26-,27-,28+/m0/s1 |
| InChIKey | LCUQQUDLAMRPSH-BGYCHDCESA-N |
| Molecular Weight | 507.906 g/mol |
| SMILES | [C@@]1(CC[C@]2([C@@](C1)(CC([C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(C)=N/OC)[H])[H])C)[H])[H])O[Si](C)(C)C)[H])C)(O[Si](C)(C)C)[H] |