Chem
J-GLOBAL ID：200907042189099368   Nikkaji number：J579.353J

17-Acetoxy-6-chloro-2-oxapregna-4,6-diene-3,11,20-trione

17-アセトキシ-6-クロロ-2-オキサプレグナ-4,6-ジエン-3,11,20-トリオン
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： C22H25ClO6
Molecular formula furigana： C22-H25-CL-O6
Molecular weight： 420.890
InChI： InChI=1S/C22H25ClO6/c1-11(24)22(29-12(2)25)6-5-14-13-7-16(23)15-8-18(27)28-10-20(15,3)19(13)17(26)9-21(14,22)4/h7-8,13-14,19H,5-6,9-10H2,1-4H3/t13-,14-,19+,20-,21-,22-/m0/s1
InChI key： GFLJRRLWPGGPMV-MZYIAIJZSA-N
SMILES： CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3C(=O)C[C@]12C)C(=O)C
Systematic name  (4)：
  • 17-アセトキシ-6-クロロ-2-オキサプレグナ-4,6-ジエン-3,11,20-トリオン
  • 6-クロロ-17α-アセトキシ-2-オキサプレグナ-4,6-ジエン-3,11,20-トリオン
  • (4aR,4bS,6aS,7R,9aS,9bS)-7-アセチル-11-クロロ-4a,6a-ジメチル-2,5-ジオキソ-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 アセタート
  • (4aR,4bS,6aS,7R,9aS,9bS)-7-acetyl-11-chloro-4a,6a-dimethyl-2,5-dioxo-2H,4H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH-indeno[4,5-h]isochromen-7-yl acetate
Other name (2)：
  • 17-Acetoxy-6-chloro-2-oxapregna-4,6-diene-3,11,20-trione
  • 6-Chloro-17α-acetoxy-2-oxapregna-4,6-diene-3,11,20-trione
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