| SpectraBase Compound ID | 5nNeFgGxaKN |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h8-11H,3-7H2,1-2H3/t9?,10-,11+,13-/m1/s1 |
| InChIKey | LPTQVIITJRWPRO-JAUFEGHXSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cqbfnaTXUc |
|---|---|
| Name | de-A,B-8-oxo-23,24-Dinorcholan-22-al |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h8-11H,3-7H2,1-2H3/t9?,10-,11+,13-/m1/s1 |
| InChIKey | LPTQVIITJRWPRO-JAUFEGHXSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | [C@]12([C@@](CC[C@@]2(C(C=O)C)[H])(C(=O)CCC1)[H])C |