Chem
J-GLOBAL ID:200907017772007264   Nikkaji number:J952.978K

3-Oxo-7α-(acetylthio)-17-hydroxyandrosta-4-ene-17β-propionic acid lactone

3-オキソ-7α-(アセチルチオ)-17-ヒドロキシアンドロスタ-4-エン-17β-プロピオン酸ラクトン
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-NMFLDQOASA-N
SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]43CCC(=O)O4)[C@H]12
Systematic name  (3):
  • 3-オキソ-7α-(アセチルチオ)-17-ヒドロキシアンドロスタ-4-エン-17β-プロピオン酸ラクトン
  • (1S,3aS,3bR,4R,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,4R,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 (1):
  • 3-Oxo-7α-(acetylthio)-17-hydroxyandrosta-4-ene-17β-propionic acid lactone
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