| SpectraBase Compound ID | JRaurPIKQKp |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-20(2,24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,3)18(16)10-12-22(17,19)4/h13,16-19,24H,5-12H2,1-4H3/t16-,17-,18-,19+,21-,22-/m0/s1 |
| InChIKey | LHPASWXOIRNYHK-XUCMERPOSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3o0eRrlogau |
|---|---|
| Name | 20-Methyl-4-pregnen-20-ol-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.255880333 u |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-20(2,24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,3)18(16)10-12-22(17,19)4/h13,16-19,24H,5-12H2,1-4H3/t16-,17-,18-,19+,21-,22-/m0/s1 |
| InChIKey | LHPASWXOIRNYHK-XUCMERPOSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | CC(C)(O)[C@@]1([C@@]2(C)CC[C@@]3([C@@]4(C)CCC(=O)C=C4CC[C@]3([C@]2([H])CC1)[H])[H])[H] |