| SpectraBase Compound ID | ECaw2m3tf0e |
|---|---|
| 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 |
| InChIKey | LXMSZDCAJNLERA-ZHYRCANASA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C24H32O4S |
| Exact Mass | 416.202131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 65Cl07xNB75 |
|---|---|
| Name | Spironolactone |
| Catalog Number | 9000324 |
| CAS Registry Number | 52-01-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H32O4S |
| 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 |
| InChIKey | LXMSZDCAJNLERA-ZHYRCANASA-N |
| Molecular Weight | 416.576 g/mol |
| SMILES | C1C(C=C2[C@](C1)([C@@]1([C@@]([C@@](C2)(SC(C)=O)[H])([C@]2([C@](CC1)([C@]1(CC2)OC(CC1)=O)C)[H])[H])[H])C)=O |
| SPLASH | splash10-0006-6935000000-00867e9330f5b91b1c65 |
| Source of Spectrum | CAY-2023-463-0 |
| Wiley ID | 1888428 |