Spironolactone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000349
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000349 contains the MS mass spectrum of Spironolactone with the InChIkey LXMSZDCAJNLERA-ZHYRCANASA-N.
Source: Spironolactone
Chemical Info
| InChI | InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1 |
|---|---|
| SMILES | C(C23[H])(SC(C)=O)CC(C(C2([H])CCC(C(C5)(OC(=O)C5)4)(C3([H])CC4)C)(C)1)=CC(=O)CC1 |
| InChI Key | LXMSZDCAJNLERA-ZHYRCANASA-N |
| Molecular Formula | C24H32O4S |
| Exact Mass | 416.202 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 | 9aea39d3-5f48-4224-8da6-5dd39e1ed981 |
| Package id | msbnk-waters-wa000349 |
| Resource type | HTML |
| State | active |