![3.beta.-[(Trimethylsilyl)ethynyl]-3.alpha.-hydroxy-5.alpha.-cholest-7-en-6-one](/api/spectrum/7cdoS2LUPd/structure.png?h=300&w=458 "3.beta.-[(Trimethylsilyl)ethynyl]-3.alpha.-hydroxy-5.alpha.-cholest-7-en-6-one")
| SpectraBase Compound ID | LOIyYzcT8KK |
|---|---|
| InChI | InChI=1S/C32H52O2Si/c1-22(2)10-9-11-23(3)25-12-13-26-24-20-29(33)28-21-32(34,18-19-35(6,7)8)17-16-31(28,5)27(24)14-15-30(25,26)4/h20,22-23,25-28,34H,9-17,21H2,1-8H3/t23-,25-,26+,27+,28-,30-,31-,32+/m1/s1 |
| InChIKey | DAUXYFDKEVEQLD-WJQNDZITSA-N |
| Mol Weight | 496.9 g/mol |
| Molecular Formula | C32H52O2Si |
| Exact Mass | 496.373657 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7cdoS2LUPd |
|---|---|
| Name | 3.beta.-[(Trimethylsilyl)ethynyl]-3.alpha.-hydroxy-5.alpha.-cholest-7-en-6-one |
| Alternate Name(s) | (3alpha,5alpha)-3-hydroxy-3-[(trimethylsilyl)ethynyl]cholest-7-en-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2Si |
| InChI | InChI=1S/C32H52O2Si/c1-22(2)10-9-11-23(3)25-12-13-26-24-20-29(33)28-21-32(34,18-19-35(6,7)8)17-16-31(28,5)27(24)14-15-30(25,26)4/h20,22-23,25-28,34H,9-17,21H2,1-8H3/t23-,25-,26+,27+,28-,30-,31-,32+/m1/s1 |
| InChIKey | DAUXYFDKEVEQLD-WJQNDZITSA-N |
| Molecular Weight | 496.851 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@](C1)(C(C=C1[C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])=O)[H])C)C#C[Si](C)(C)C |
| SPLASH | splash10-00l2-0058900000-a3a2031fb814d747c6c9 |
| Source of Spectrum | AC-1993-737-0 |
| Wiley ID | 811611 |