Dataset
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 |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000350 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:41:56.682043 |
MetadataModified | 2025-02-09T20:27:26.591738 |
MetadataPublished | 2016-01-19 |
Related Molecule |