| SpectraBase Compound ID | 9TmtQiTTaWq |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)23-10-11-24-22-17-27(30)26-16-21(32-18-31-6)12-14-29(26,5)25(22)13-15-28(23,24)4/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26?,28-,29-/m1/s1 |
| InChIKey | QTRININPDVVGDT-KEWMVMEASA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcQ2j7XoFiL |
|---|---|
| Name | 3-.beta.-Methoxymethoxy-cholestan-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.375995467 u |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)23-10-11-24-22-17-27(30)26-16-21(32-18-31-6)12-14-29(26,5)25(22)13-15-28(23,24)4/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26?,28-,29-/m1/s1 |
| InChIKey | QTRININPDVVGDT-KEWMVMEASA-N |
| Molecular Weight | 446.716 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)C(C[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)(OCOC)[H] |