| SpectraBase Compound ID | DBfHukUaHc3 |
|---|---|
| InChI | InChI=1S/C33H62OSi/c1-23(2)12-11-13-24(3)28-16-17-29-27-15-14-25-22-26(34-35(9,10)31(4,5)6)18-20-32(25,7)30(27)19-21-33(28,29)8/h23-30H,11-22H2,1-10H3/t24-,25?,26+,27?,28-,29?,30?,32+,33-/m1/s1 |
| InChIKey | MTTUKKKFWZKHGA-RMKUWPSXSA-N |
| Mol Weight | 502.9 g/mol |
| Molecular Formula | C33H62OSi |
| Exact Mass | 502.456993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWmZTNTzGfE |
|---|---|
| Name | Cholestane, silane deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 502.456993150 u |
| Formula | C33H62OSi |
| InChI | InChI=1S/C33H62OSi/c1-23(2)12-11-13-24(3)28-16-17-29-27-15-14-25-22-26(34-35(9,10)31(4,5)6)18-20-32(25,7)30(27)19-21-33(28,29)8/h23-30H,11-22H2,1-10H3/t24-,25?,26+,27?,28-,29?,30?,32+,33-/m1/s1 |
| InChIKey | MTTUKKKFWZKHGA-RMKUWPSXSA-N |
| Molecular Weight | 502.943 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |