| SpectraBase Compound ID | 5rJHI7yxUbB |
|---|---|
| InChI | InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16?,17?,20?,21-,22-,23-/m0/s1 |
| InChIKey | ITRJWOMZKQRYTA-XLSOAHDVSA-N |
| Mol Weight | 402.49 g/mol |
| Molecular Formula | C23H30O6 |
| Exact Mass | 402.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3e6HEeK1dg |
|---|---|
| Name | Cortisone 21-acetate |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 402.204238680 u |
| Formula | C23H30O6 |
| InChI | InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16?,17?,20?,21-,22-,23-/m0/s1 |
| InChIKey | ITRJWOMZKQRYTA-XLSOAHDVSA-N |
| Molecular Weight | 402.487 g/mol |
| Nominal Mass | 402 u |
| Number of Peaks | 80 |
| SMILES | O[C@@]1(C(=O)COC(C)=O)[C@]2(C)C(CC1)C1C(C(=O)C2)[C@]2(C)C(CC1)=CC(=O)CC2 |
| SPLASH | splash10-05fr-3931000000-ef005d80a3e4d1465f8c |
| Source File Reference | DSHS_50_0391 |
| Source of Spectrum | Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany |
| Wiley ID | 50_391 |