![3.beta.-[(2-Hydroxy-2-phenyl)ethyl]-5.alpha.-cholestan-3-.alpha.-ol](/api/spectrum/GTfE7Sn42At/structure.png?h=300&w=458 "3.beta.-[(2-Hydroxy-2-phenyl)ethyl]-5.alpha.-cholestan-3-.alpha.-ol")
| SpectraBase Compound ID | HZwlA35Y4HQ |
|---|---|
| InChI | InChI=1S/C35H56O2/c1-24(2)10-9-11-25(3)29-16-17-30-28-15-14-27-22-35(37,23-32(36)26-12-7-6-8-13-26)21-20-33(27,4)31(28)18-19-34(29,30)5/h6-8,12-13,24-25,27-32,36-37H,9-11,14-23H2,1-5H3/t25-,27?,28?,29-,30?,31?,32?,33+,34-,35-/m1/s1 |
| InChIKey | GNJWOMSBVBJSLW-XOCUHCHRSA-N |
| Mol Weight | 508.8 g/mol |
| Molecular Formula | C35H56O2 |
| Exact Mass | 508.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTfE7Sn42At |
|---|---|
| Name | 3.beta.-[(2-hydroxy-2-phenyl)ethyl]-5.alpha.-cholestan-3-.alpha.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 508.428031041 u |
| Formula | C35H56O2 |
| InChI | InChI=1S/C35H56O2/c1-24(2)10-9-11-25(3)29-16-17-30-28-15-14-27-22-35(37,23-32(36)26-12-7-6-8-13-26)21-20-33(27,4)31(28)18-19-34(29,30)5/h6-8,12-13,24-25,27-32,36-37H,9-11,14-23H2,1-5H3/t25-,27?,28?,29-,30?,31?,32?,33+,34-,35-/m1/s1 |
| InChIKey | GNJWOMSBVBJSLW-XOCUHCHRSA-N |
| Molecular Weight | 508.831 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@@](CC(C2=CC=CC=C2)O)(O)C4)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |