| SpectraBase Compound ID | E8qgCRgrLCG |
|---|---|
| InChI | InChI=1S/C33H56O3Si/c1-29(2,3)37(9,10)36-24-16-20-31(6)23(22-24)12-13-25-26-14-15-28(32(26,7)21-17-27(25)31)33(8,35)19-11-18-30(4,5)34/h12,18-19,24-28,34-35H,13-17,20-22H2,1-10H3/t11?,24-,25?,26?,27?,28?,31-,32-,33-/m0/s1 |
| InChIKey | PSQXAIVIBZVGEA-GUZQKNDVSA-N |
| Mol Weight | 528.9 g/mol |
| Molecular Formula | C33H56O3Si |
| Exact Mass | 528.399872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYjhFlQFPrX |
|---|---|
| Name | (20S,22,23R)-3.beta.-T-Butyldimethylsilyloxy-cholesta-5,22,23-triene-20,25-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 528.399872195 u |
| Formula | C33H56O3Si |
| InChI | InChI=1S/C33H56O3Si/c1-29(2,3)37(9,10)36-24-16-20-31(6)23(22-24)12-13-25-26-14-15-28(32(26,7)21-17-27(25)31)33(8,35)19-11-18-30(4,5)34/h12,18-19,24-28,34-35H,13-17,20-22H2,1-10H3/t11?,24-,25?,26?,27?,28?,31-,32-,33-/m0/s1 |
| InChIKey | PSQXAIVIBZVGEA-GUZQKNDVSA-N |
| Molecular Weight | 528.893 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)CCC1[C@](C=C=CC(O)(C)C)(O)C)C |