| SpectraBase Compound ID | IElKyfNzkoU |
|---|---|
| InChI | InChI=1S/C31H54O3Si/c1-21(10-9-11-22(2)29(32)33-5)26-14-15-27-25-13-12-23-20-24(34-35(6,7)8)16-18-30(23,3)28(25)17-19-31(26,27)4/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t21-,22?,24+,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | DNXGNXYNSBCWGX-PMVQGDQUSA-N |
| Mol Weight | 502.9 g/mol |
| Molecular Formula | C31H54O3Si |
| Exact Mass | 502.384222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3faq6NZqrhY |
|---|---|
| Name | Methyl 3-hydroxycholest-5-en-26-oate, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 502.384222131 u |
| Formula | C31H54O3Si |
| InChI | InChI=1S/C31H54O3Si/c1-21(10-9-11-22(2)29(32)33-5)26-14-15-27-25-13-12-23-20-24(34-35(6,7)8)16-18-30(23,3)28(25)17-19-31(26,27)4/h12,21-22,24-28H,9-11,13-20H2,1-8H3/t21-,22?,24+,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | DNXGNXYNSBCWGX-PMVQGDQUSA-N |
| Molecular Weight | 502.855 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C(=O)OC)(C)[H])[H])[H])C)[H])[H])C)(O[Si](C)(C)C)[H] |