| SpectraBase Compound ID | 59ruApGqsh5 |
|---|---|
| InChI | InChI=1S/C33H68O4Si4/c1-32-20-19-25(35-39(6,7)8)21-24(32)15-16-26-27-17-18-28(30(37-41(12,13)14)23-34-38(3,4)5)33(27,2)22-29(31(26)32)36-40(9,10)11/h24-31H,15-23H2,1-14H3/t24-,25-,26-,27-,28?,29-,30+,31?,32-,33-/m0/s1 |
| InChIKey | RUHLXDLUNAJPIW-KNJWPBDQSA-N |
| Mol Weight | 641.2 g/mol |
| Molecular Formula | C33H68O4Si4 |
| Exact Mass | 640.419467 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUB3Iyf32uA |
|---|---|
| Name | tms(4)-5.alpha.-Pregnane-3.alpha.,11.beta.,20.alpha.,21-tetrol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 640.419466806 u |
| Formula | C33H68O4Si4 |
| InChI | InChI=1S/C33H68O4Si4/c1-32-20-19-25(35-39(6,7)8)21-24(32)15-16-26-27-17-18-28(30(37-41(12,13)14)23-34-38(3,4)5)33(27,2)22-29(31(26)32)36-40(9,10)11/h24-31H,15-23H2,1-14H3/t24-,25-,26-,27-,28?,29-,30+,31?,32-,33-/m0/s1 |
| InChIKey | RUHLXDLUNAJPIW-KNJWPBDQSA-N |
| Molecular Weight | 641.243 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@](C3[C@](C2)(O[Si](C)(C)C)[H])(CC[C@](O[Si](C)(C)C)(C4)[H])C)[H])[H])(CCC1[C@](O[Si](C)(C)C)(CO[Si](C)(C)C)[H])[H])C |