(1R,3aS,3bR,4S,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione

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; (17R)-7β-(acetylthio)-17-hydroxy-3-oxopregna-4-ene-21-carboxylic acid γ-lactone
CAS RN:[33784-05-3]
Formula:C24H32O4S; 416.58 g/mol
InChiKey:LXMSZDCAJNLERA-KVXIHFSQSA-N
SMILES:CC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13
Molecular structure of (1R,3aS,3bR,4S,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione
Log10 partition octanol / water:2.26

Isomers

Molecular structure of (1R,3aS,3bR,4S,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione
spironolactone
Molecular structure of spironolactone
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