| SpectraBase Compound ID | BkJOymUIdHC |
|---|---|
| InChI | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 |
| InChIKey | OIGNJSKKLXVSLS-VWUMJDOOSA-N |
| Mol Weight | 360.45 g/mol |
| Molecular Formula | C21H28O5 |
| Exact Mass | 360.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JIJsED8MiEy |
|---|---|
| Name | Prednisolone |
| CAS Registry Number | 50-24-8 |
| Classification | Pharmaceutical drug, glucocorticosteroid |
| Comments | Spectrum verified by independent measurements in external laboratories |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 360.193673997 u |
| Formula | C21H28O5 |
| InChI | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 |
| InChIKey | OIGNJSKKLXVSLS-VWUMJDOOSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 360.450 g/mol |
| Nominal Mass | 360 u |
| Quality | 933 |
| Retention Index | 2813 |
| SMILES | OCC([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(C=C4)=O)C)([C@](C2)(O)[H])[H])[H])(CC1)[H])C)O)=O |
| SPLASH | splash10-00di-2900000000-ff7a7bda4a657e2e88fb |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 11beta,17alpha,21-Trihydroxy-1,4-pregnadiene-3,20-dione |
| Technique | GC/MS |
| Wiley ID | DD2024_003707 |