| SpectraBase Compound ID | Hb7jqMVcCzg |
|---|---|
| InChI | InChI=1S/C32H56O2/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(34-29(33)30(4,5)6)16-18-31(23,7)28(25)17-19-32(26,27)8/h21-28H,9-20H2,1-8H3/t22-,23-,24-,25+,26-,27+,28+,31+,32-/m1/s1 |
| InChIKey | XFXLWXDMHKWJQY-PSHFJSLNSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C32H56O2 |
| Exact Mass | 472.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHkaBeaGmmz |
|---|---|
| Name | 5.beta.-Cholestan-3.alpha.-ol, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.428031041 u |
| Formula | C32H56O2 |
| InChI | InChI=1S/C32H56O2/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(34-29(33)30(4,5)6)16-18-31(23,7)28(25)17-19-32(26,27)8/h21-28H,9-20H2,1-8H3/t22-,23-,24-,25+,26-,27+,28+,31+,32-/m1/s1 |
| InChIKey | XFXLWXDMHKWJQY-PSHFJSLNSA-N |
| Molecular Weight | 472.798 g/mol |
| SMILES | [C@@]12([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@@](CC4)(OC(C(C)(C)C)=O)[H])[H])C)(CC2)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |