| SpectraBase Compound ID | 3Ij0l6PWYPy |
|---|---|
| InChI | InChI=1S/C23H38O/c1-5-15(2)18-11-12-19-17-10-9-16-8-6-7-13-22(16,3)20(17)14-21(24)23(18,19)4/h15-20H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,22-,23+/m0/s1 |
| InChIKey | GDTINKNGGNGFIQ-JCBWCNRASA-N |
| Mol Weight | 330.6 g/mol |
| Molecular Formula | C23H38O |
| Exact Mass | 330.292266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADBzDwC2A6n |
|---|---|
| Name | (20R)- and (20S)-24-nor-5.alpha.-Cholan-12-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.292265843 u |
| Formula | C23H38O |
| InChI | InChI=1S/C23H38O/c1-5-15(2)18-11-12-19-17-10-9-16-8-6-7-13-22(16,3)20(17)14-21(24)23(18,19)4/h15-20H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20-,22-,23+/m0/s1 |
| InChIKey | GDTINKNGGNGFIQ-JCBWCNRASA-N |
| Molecular Weight | 330.556 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2=O)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@](CC)(C)[H])[H])[H])C |