| SpectraBase Compound ID | 6zdBXneNtWf |
|---|---|
| InChI | InChI=1S/C33H60OSi/c1-9-35(8,10-2)34-23-26-18-20-32(6)27(22-26)14-15-28-30-17-16-29(25(5)13-11-12-24(3)4)33(30,7)21-19-31(28)32/h23-25,27-31H,9-22H2,1-8H3/b26-23+/t25-,27?,28?,29-,30?,31?,32+,33-/m1/s1 |
| InChIKey | WABVWQCDADKSRY-DGLKLCSKSA-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 | JGf0AkqoZld |
|---|---|
| Name | Cholestane, silane deriv. |
| 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/c1-9-35(8,10-2)34-23-26-18-20-32(6)27(22-26)14-15-28-30-17-16-29(25(5)13-11-12-24(3)4)33(30,7)21-19-31(28)32/h23-25,27-31H,9-22H2,1-8H3/b26-23+/t25-,27?,28?,29-,30?,31?,32+,33-/m1/s1 |
| InChIKey | WABVWQCDADKSRY-DGLKLCSKSA-N |
| Molecular Weight | 500.927 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CC\C(=C/O[Si](CC)(CC)C)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |