Chem
J-GLOBAL ID：200907099517791950   Nikkaji number：J2.201.829I

6-Chloro-17α-hydroxy-21-acetoxy-2-oxapregna-4,6-diene-3,20-dione

6-クロロ-17α-ヒドロキシ-21-アセトキシ-2-オキサプレグナ-4,6-ジエン-3,20-ジオン
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： C22H27ClO6
Molecular formula furigana： C22-H27-CL-O6
Molecular weight： 422.900
InChI： InChI=1S/C22H27ClO6/c1-12(24)28-10-18(25)22(27)7-5-15-13-8-17(23)16-9-19(26)29-11-20(16,2)14(13)4-6-21(15,22)3/h8-9,13-15,27H,4-7,10-11H2,1-3H3/t13-,14+,15+,20-,21+,22+/m1/s1
InChI key： SDQYMUCEMICDAG-SJYKORFMSA-N
SMILES： CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 6-クロロ-17α-ヒドロキシ-21-アセトキシ-2-オキサプレグナ-4,6-ジエン-3,20-ジオン
  • 2-[(4aR,4bS,6aS,7R,9aS,9bR)-11-クロロ-7-ヒドロキシ-4a,6a-ジメチル-2-オキソ-2H,4H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH-インデノ[4,5-h]イソクロメン-7-イル]-2-オキソエチル アセタート
  • 2-[(4aR,4bS,6aS,7R,9aS,9bR)-11-chloro-7-hydroxy-4a,6a-dimethyl-2-oxo-2H,4H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH-indeno[4,5-h]isochromen-7-yl]-2-oxoethyl acetate
Other name (1)：
  • 6-Chloro-17α-hydroxy-21-acetoxy-2-oxapregna-4,6-diene-3,20-dione
Thsaurus map：
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