Prednisone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002454
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002454 contains the MS mass spectrum of Prednisone with the InChIkey XOFYZVNMUHMLCC-ZPOLXVRWSA-N.
Source: Prednisone
Chemical Info
| InChI | InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 |
|---|---|
| SMILES | OCC(=O)C(O)(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(=O)3)C(C)(C=2)C(=CC(=O)C2)C1 |
| InChI Key | XOFYZVNMUHMLCC-ZPOLXVRWSA-N |
| Molecular Formula | C21H26O5 |
| Exact Mass | 358.178 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 41f32669-2d47-4aa6-840d-110fe71283b6 |
| Package id | msbnk-waters-wa002454 |
| Resource type | HTML |
| State | active |