| SpectraBase Compound ID | 7JG4s7Amw5t |
|---|---|
| InChI | InChI=1S/C33H60OSi/c1-21(2)24(5)22(3)20-23(4)27-14-15-29-26-12-13-28-25(6)31(34-35(9,10)11)17-19-33(28,8)30(26)16-18-32(27,29)7/h20-21,23-31H,12-19H2,1-11H3/b22-20+/t23-,24?,25+,26+,27-,28+,29+,30+,31+,32-,33+/m1/s1 |
| InChIKey | SGKFYHHZGOLNFY-NIEVXFFFSA-N |
| Mol Weight | 500.9 g/mol |
| Molecular Formula | C33H60OSi |
| Exact Mass | 500.441343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Hg5A5a2EcP |
|---|---|
| Name | 4.alpha.,23,24-Trimethyl-5.alpha.-cholest-22-en-3.beta.-ol , tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.441343086 u |
| Formula | C33H60OSi |
| InChI | InChI=1S/C33H60OSi/c1-21(2)24(5)22(3)20-23(4)27-14-15-29-26-12-13-28-25(6)31(34-35(9,10)11)17-19-33(28,8)30(26)16-18-32(27,29)7/h20-21,23-31H,12-19H2,1-11H3/b22-20+/t23-,24?,25+,26+,27-,28+,29+,30+,31+,32-,33+/m1/s1 |
| InChIKey | SGKFYHHZGOLNFY-NIEVXFFFSA-N |
| Molecular Weight | 500.927 g/mol |
| SMILES | [C@]1(CC[C@]2([C@]([C@@]1(C)[H])(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](\C=C\(C(C(C)C)C)C)(C)[H])[H])[H])C)[H])[H])[H])C)(O[Si](C)(C)C)[H] |