| SpectraBase Compound ID | C2RfiEA6FqP |
|---|---|
| InChI | InChI=1S/C28H42O3Si/c1-19(29)31-21-12-14-26(2)20(18-21)8-9-22-23-10-11-25(27(23,3)15-13-24(22)26)28(4,30)16-17-32(5,6)7/h8-9,21,23-25,30H,10-15,18H2,1-7H3/t21-,23-,24-,25-,26-,27-,28-/m0/s1 |
| InChIKey | ODYACYQVOVZEKD-YFJYPRTLSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H42O3Si |
| Exact Mass | 454.290322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3C9QL6q9ehP |
|---|---|
| Name | (20R)-23-Trimethylsilyl-3.beta.-acetoxy-20-hydroxy-24-norchol-5,7-dien-22-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.290321744 u |
| Formula | C28H42O3Si |
| InChI | InChI=1S/C28H42O3Si/c1-19(29)31-21-12-14-26(2)20(18-21)8-9-22-23-10-11-25(27(23,3)15-13-24(22)26)28(4,30)16-17-32(5,6)7/h8-9,21,23-25,30H,10-15,18H2,1-7H3/t21-,23-,24-,25-,26-,27-,28-/m0/s1 |
| InChIKey | ODYACYQVOVZEKD-YFJYPRTLSA-N |
| Molecular Weight | 454.726 g/mol |
| SMILES | C=12[C@]3([C@]([C@]([C@](C#C[Si](C)(C)C)(O)C)([H])CC3)(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(CC2=CC1)[H])C)[H])[H] |