Dataset
Cortisone
Chemical Info
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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 |
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SMILES | OCC(=O)C(O)(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(=O)3)C(C)(C2)C(=CC(=O)C2)C1 |
InChI Key | MFYSYFVPBJMHGN-ZPOLXVRWSA-N |
Molecular Formula | C21H28O5 |
Exact Mass | 360.194 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000378 |
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MetadataCreated | 2024-01-11T22:48:48.133943 |
MetadataModified | 2025-02-09T20:27:30.533500 |
MetadataPublished | 2016-01-19 |
Related Molecule |