| SpectraBase Compound ID | 1K0iAq4CgpI |
|---|---|
| InChI | InChI=1S/C28H48O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h18-25,29H,6-17H2,1-5H3/t18-,19?,20-,21-,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | UKFMIHBZZDGBFV-YSKVBDTQSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C28H48O3 |
| Exact Mass | 432.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcTPucZg7I9 |
|---|---|
| Name | Methyl (25RS)-3.alpha.-hydroxy-5.beta.-cholestan-26-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.360345403 u |
| Formula | C28H48O3 |
| InChI | InChI=1S/C28H48O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h18-25,29H,6-17H2,1-5H3/t18-,19?,20-,21-,22+,23-,24+,25+,27+,28-/m1/s1 |
| InChIKey | UKFMIHBZZDGBFV-YSKVBDTQSA-N |
| Molecular Weight | 432.689 g/mol |
| SMILES | [C@@]1(CC[C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C(=O)OC)(C)[H])[H])[H])C)[H])[H])[H])C)(O)[H] |