| SpectraBase Compound ID | 66RA8GU3H9A |
|---|---|
| InChI | InChI=1S/C30H54/c1-8-23(20(2)3)12-11-22(5)26-15-16-27-24-13-14-25-21(4)10-9-18-29(25,6)28(24)17-19-30(26,27)7/h20-28H,8-19H2,1-7H3 |
| InChIKey | YLPQYQLAPDSRON-UHFFFAOYSA-N |
| Mol Weight | 414.8 g/mol |
| Molecular Formula | C30H54 |
| Exact Mass | 414.422552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5domzuixtyT |
|---|---|
| Name | 4Beta(H),24-ethylcholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.422551739 u |
| Formula | C30H54 |
| InChI | InChI=1S/C30H54/c1-8-23(20(2)3)12-11-22(5)26-15-16-27-24-13-14-25-21(4)10-9-18-29(25,6)28(24)17-19-30(26,27)7/h20-28H,8-19H2,1-7H3 |
| InChIKey | YLPQYQLAPDSRON-UHFFFAOYSA-N |
| Molecular Weight | 414.762 g/mol |
| SMILES | C12(C)C(C(CCC2)C)CCC2C1CCC1(C2CCC1C(C)CCC(CC)C(C)C)C |