Chem
J-GLOBAL ID：200907063847948371   Nikkaji number：J1.023.861G

7-(Acetylthio)-17-hydroxy-3-oxopregna-4-ene-21-carboxylic acid lactone

7-(アセチルチオ)-17-ヒドロキシ-3-オキソプレグナ-4-エン-21-カルボン酸ラクトン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C24H32O4S
Molecular formula furigana： C24-H32-O4-S
Molecular weight： 416.580
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
InChI key： LXMSZDCAJNLERA-RZNUTPGSSA-N
SMILES： CC(=O)SC1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]43CCC(=O)O4)[C@H]12
Systematic name  (4)：
  • 7-(アセチルチオ)-17-ヒドロキシ-3-オキソプレグナ-4-エン-21-カルボン酸ラクトン
  • (17S)-3,5′-ジオキソ-4′,5′-ジヒドロスピロ[アンドロスタ-17,2′(3′H)-フラン]-4-エン-7-チオール7-アセタート
  • (1S,3aS,3bR,9aR,9bS,11aS)-4-(アセチルスルファニル)-9a,11a-ジメチル-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-テトラデカヒドロスピロ[シクロペンタ[a]フェナントレン-1,2'-オキソラン]-5',7-ジオン
  • (1S,3aS,3bR,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
Other name (2)：
  • 7-(Acetylthio)-17-hydroxy-3-oxopregna-4-ene-21-carboxylic acid lactone
  • (17S)-3,5′-Dioxo-4′,5′-dihydrospiro[androsta-17,2′(3′H)-furan]-4-ene-7-thiol 7-acetate
Thsaurus map：
Thesaurus Map

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