Chem
J-GLOBAL ID：200907001648612180   Nikkaji number：J431.947H

11β-Hydroxy-17α-[(methylthio)methoxy]-3-oxoandrost-4-ene-17β-carboxylic acid

11β-ヒドロキシ-17α-[(メチルチオ)メトキシ]-3-オキソアンドロスタ-4-エン-17β-カルボン酸
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： C22H32O5S
Molecular formula furigana： C22-H32-O5-S
Molecular weight： 408.550
InChI： InChI=1S/C22H32O5S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(19(25)26,27-12-28-3)21(16,2)11-17(24)18(15)20/h10,15-18,24H,4-9,11-12H2,1-3H3,(H,25,26)/t15-,16-,17-,18+,20-,21-,22-/m0/s1
InChI key： FTAUUJPXJZXOBK-DCJXKKNWSA-N
SMILES： CSCO[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)O
Systematic name  (3)：
  • 11β-ヒドロキシ-17α-[(メチルチオ)メトキシ]-3-オキソアンドロスタ-4-エン-17β-カルボン酸
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-ヒドロキシ-9a,11a-ジメチル-1-[(メチルスルファニル)メトキシ]-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-カルボン酸
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-9a,11a-dimethyl-1-[(methylsulfanyl)methoxy]-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carboxylic acid
Other name (1)：
  • 11β-Hydroxy-17α-[(methylthio)methoxy]-3-oxoandrost-4-ene-17β-carboxylic acid
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