| SpectraBase Compound ID | DsTaE2ijYLW |
|---|---|
| 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/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 |
| InChIKey | LRJOMUJRLNCICJ-JZYPGELDSA-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 | D6rhHCJbzvV |
|---|---|
| Name | Prednisolone 21-acetate |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| 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/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 |
| InChIKey | LRJOMUJRLNCICJ-JZYPGELDSA-N |
| SMILES | O[C@]1([C@]2(C[C@@]([C@@]3([C@]4(C=CC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])(O)[H])C)C(=O)COC(=O)C |
| SPLASH | splash10-00di-2920000000-e098ac9e1d55ee7fd06b |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |