| SpectraBase Compound ID | 4sxQoMLM8pU |
|---|---|
| InChI | InChI=1S/C23H32O4/c1-13(24)17-5-6-18-16-12-21(27-14(2)25)20-11-15(26)7-9-23(20,4)19(16)8-10-22(17,18)3/h11,16-19,21H,5-10,12H2,1-4H3/t16?,17-,18?,19?,21?,22-,23-/m1/s1 |
| InChIKey | SUCNAJORKZIPDF-PVGOPCLPSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C23H32O4 |
| Exact Mass | 372.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdFpoDtDWQj |
|---|---|
| Name | 3,20-Dioxopregn-4-en-6-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.230059506 u |
| Formula | C23H32O4 |
| InChI | InChI=1S/C23H32O4/c1-13(24)17-5-6-18-16-12-21(27-14(2)25)20-11-15(26)7-9-23(20,4)19(16)8-10-22(17,18)3/h11,16-19,21H,5-10,12H2,1-4H3/t16?,17-,18?,19?,21?,22-,23-/m1/s1 |
| InChIKey | SUCNAJORKZIPDF-PVGOPCLPSA-N |
| Molecular Weight | 372.505 g/mol |
| SMILES | [C@]12(C(C(OC(=O)C)CC3C2CC[C@@]2([C@@](C(=O)C)(CCC32)[H])C)=CC(CC1)=O)C |