| SpectraBase Compound ID | DTJfZIM4Rle |
|---|---|
| InChI | InChI=1S/C23H36O3/c1-4-5-21(25)26-16-10-12-22(2)15(14-16)6-7-17-18-8-9-20(24)23(18,3)13-11-19(17)22/h15-19H,4-14H2,1-3H3 |
| InChIKey | ZBPQBCXWLUSWGS-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C23H36O3 |
| Exact Mass | 360.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CYxFBC2AN3 |
|---|---|
| Name | Etiocholan-3.alpha.-ol-17-one, butyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.266445016 u |
| Formula | C23H36O3 |
| InChI | InChI=1S/C23H36O3/c1-4-5-21(25)26-16-10-12-22(2)15(14-16)6-7-17-18-8-9-20(24)23(18,3)13-11-19(17)22/h15-19H,4-14H2,1-3H3 |
| InChIKey | ZBPQBCXWLUSWGS-UHFFFAOYSA-N |
| Molecular Weight | 360.538 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C(CC3)CC(CC2)OC(CCC)=O)C)CCC1=O |