| SpectraBase Compound ID | 3PxX3wgP65N |
|---|---|
| InChI | InChI=1S/C30H52O2Si/c1-20(2)10-9-11-21(3)24-12-13-25-28-26(15-17-30(24,25)5)29(4)16-14-23(31)18-22(29)19-27(28)32-33(6,7)8/h18,20-21,24-28H,9-17,19H2,1-8H3/t21-,24-,25+,26+,27+,28+,29+,30-/m1/s1 |
| InChIKey | MQWOWXGABFDTED-YFQZGKMVSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C30H52O2Si |
| Exact Mass | 472.373657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOEK78UQ3TM |
|---|---|
| Name | Cholest-4-en-3-one, 7-hydroxy-, (7.beta.)-, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.373657447 u |
| Formula | C30H52O2Si |
| InChI | InChI=1S/C30H52O2Si/c1-20(2)10-9-11-21(3)24-12-13-25-28-26(15-17-30(24,25)5)29(4)16-14-23(31)18-22(29)19-27(28)32-33(6,7)8/h18,20-21,24-28H,9-17,19H2,1-8H3/t21-,24-,25+,26+,27+,28+,29+,30-/m1/s1 |
| InChIKey | MQWOWXGABFDTED-YFQZGKMVSA-N |
| Molecular Weight | 472.829 g/mol |
| SMILES | C1(CC[C@@]2(C)C(=C1)C[C@@]([C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])([C@@](CCCC(C)C)(C)[H])[H])[H])[H])(O[Si](C)(C)C)[H])=O |