![3-.beta.-[2-(2-Hydroxyethyl)phenylmethyl]-5.alpha.-cholestan-3.alpha.-ol](/api/spectrum/IYu2jb3KrpC/structure.png?h=300&w=458 "3-.beta.-[2-(2-Hydroxyethyl)phenylmethyl]-5.alpha.-cholestan-3.alpha.-ol")
| SpectraBase Compound ID | JgUimWnudKh |
|---|---|
| InChI | InChI=1S/C36H58O2/c1-25(2)9-8-10-26(3)31-15-16-32-30-14-13-29-24-36(38,23-28-12-7-6-11-27(28)18-22-37)21-20-34(29,4)33(30)17-19-35(31,32)5/h6-7,11-12,25-26,29-33,37-38H,8-10,13-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,34+,35-,36+/m1/s1 |
| InChIKey | BSBJGULUKNTCEW-HPCZMOIDSA-N |
| Mol Weight | 522.9 g/mol |
| Molecular Formula | C36H58O2 |
| Exact Mass | 522.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYu2jb3KrpC |
|---|---|
| Name | 3-.beta.-[2-(2-Hydroxyethyl)phenylmethyl]-5.alpha.-cholestan-3.alpha.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.443681106 u |
| Formula | C36H58O2 |
| InChI | InChI=1S/C36H58O2/c1-25(2)9-8-10-26(3)31-15-16-32-30-14-13-29-24-36(38,23-28-12-7-6-11-27(28)18-22-37)21-20-34(29,4)33(30)17-19-35(31,32)5/h6-7,11-12,25-26,29-33,37-38H,8-10,13-24H2,1-5H3/t26-,29+,30+,31-,32+,33+,34+,35-,36+/m1/s1 |
| InChIKey | BSBJGULUKNTCEW-HPCZMOIDSA-N |
| Molecular Weight | 522.858 g/mol |
| SMILES | [C@@]1(CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)(O)CC=1C(=CC=CC1)CCO |