| SpectraBase Spectrum ID |
8JfmVn5Z9X6 |
| Name |
Spironolactone |
| CAS Registry Number |
52-01-7 |
| Classification |
Pharmaceutical drug, diuretic antiandrogenic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
416.202130680 u |
| 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-GQBYUUQJSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
416.576 g/mol |
| Nominal Mass |
416 u |
| Quality |
958 |
| Retention Index |
3280 |
| SMILES |
[C@@]12(C3[C@@]([C@]4(CC3)OC(CC4)=O)(CC[C@@]2([C@@]2(C(C[C@]1(SC(=O)C)[H])=CC(CC2)=O)C)[H])C)[H] |
| SPLASH |
splash10-0006-9522000000-4167ef248a351e2ed701 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Deverol
S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,-\r14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl]ethanethioate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003909 |
