| SpectraBase Compound ID | pLOibZ9JJy |
|---|---|
| InChI | InChI=1S/C27H50O3Si2/c1-18(28)25-24(30-32(7,8)9)17-23-21-11-10-19-16-20(29-31(4,5)6)12-14-26(19,2)22(21)13-15-27(23,25)3/h19-25H,10-17H2,1-9H3/t19-,20-,21-,22+,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | WEEZFJRNCVQVEU-ITGQVJGJSA-N |
| Mol Weight | 478.9 g/mol |
| Molecular Formula | C27H50O3Si2 |
| Exact Mass | 478.329849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4w0J2462L64 |
|---|---|
| Name | 3.alpha.,16.alpha.-Dihydroxy-5.beta.-pregnan-20-one, di-tms ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 478.329848537 u |
| Formula | C27H50O3Si2 |
| InChI | InChI=1S/C27H50O3Si2/c1-18(28)25-24(30-32(7,8)9)17-23-21-11-10-19-16-20(29-31(4,5)6)12-14-26(19,2)22(21)13-15-27(23,25)3/h19-25H,10-17H2,1-9H3/t19-,20-,21-,22+,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | WEEZFJRNCVQVEU-ITGQVJGJSA-N |
| Molecular Weight | 478.864 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])[H])(C[C@]([C@@]1(C(=O)C)[H])(O[Si](C)(C)C)[H])[H])C |