![3.beta.-[(T-butyldimethyl)silyloxy]-26-[(pivaloyl)oxy]-cholest-5-ene-3.beta.,16.beta.-diol](/api/spectrum/98kKU3foiPc/structure.png?h=300&w=458 "3.beta.-[(T-butyldimethyl)silyloxy]-26-[(pivaloyl)oxy]-cholest-5-ene-3.beta.,16.beta.-diol")
| SpectraBase Compound ID | LsJN410mglF |
|---|---|
| InChI | InChI=1S/C38H68O4Si/c1-25(24-41-34(40)35(3,4)5)14-13-15-26(2)33-32(39)23-31-29-17-16-27-22-28(42-43(11,12)36(6,7)8)18-20-37(27,9)30(29)19-21-38(31,33)10/h16,25-26,28-33,39H,13-15,17-24H2,1-12H3/t25?,26-,28+,29-,30+,31+,32+,33+,37+,38+/m1/s1 |
| InChIKey | JPFSFLHZCXFWOB-HSJOSUFSSA-N |
| Mol Weight | 617.0 g/mol |
| Molecular Formula | C38H68O4Si |
| Exact Mass | 616.488687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98kKU3foiPc |
|---|---|
| Name | 3.beta.-[(T-butyldimethyl)silyloxy]-26-[(pivaloyl)oxy]-cholest-5-ene-3.beta.,16.beta.-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 616.488687201 u |
| Formula | C38H68O4Si |
| InChI | InChI=1S/C38H68O4Si/c1-25(24-41-34(40)35(3,4)5)14-13-15-26(2)33-32(39)23-31-29-17-16-27-22-28(42-43(11,12)36(6,7)8)18-20-37(27,9)30(29)19-21-38(31,33)10/h16,25-26,28-33,39H,13-15,17-24H2,1-12H3/t25?,26-,28+,29-,30+,31+,32+,33+,37+,38+/m1/s1 |
| InChIKey | JPFSFLHZCXFWOB-HSJOSUFSSA-N |
| Molecular Weight | 617.043 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])(C[C@@]([C@@]1([C@@](CCCC(COC(C(C)(C)C)=O)C)(C)[H])[H])(O)[H])[H])C |