Chem
J-GLOBAL ID：200907053094880463   Nikkaji number：J2.506.310D

1,8-Diacetoxy-5-(2-bromobenzoyl)-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline

1,8-ジアセトキシ-5-(2-ブロモベンゾイル)-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン
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： C22H21BrN2O5
Molecular formula furigana： C22-H21-BR-N2-O5
Molecular weight： 473.323
InChI： InChI=1S/C22H21BrN2O5/c1-13(26)29-16-7-8-20-18(11-16)21-15(9-10-25(21)30-14(2)27)12-24(20)22(28)17-5-3-4-6-19(17)23/h3-8,11,15,21H,9-10,12H2,1-2H3/t15-,21-/m0/s1
InChI key： DQDBXFSPNMXBNM-BTYIYWSLSA-N
SMILES： CC(=O)ON1CC[C@H]2CN(C(=O)c3ccccc3Br)c3ccc(OC(=O)C)cc3[C@@H]12
Systematic name  (3)：
  • 1,8-ジアセトキシ-5-(2-ブロモベンゾイル)-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン
  • (3aS,9bS)-8-(アセチルオキシ)-5-(2-ブロモベンゾイル)-1H,2H,3H,3aH,4H,5H,9bH-ピロロ[3,2-c]キノリン-1-イル アセタート
  • (3aS,9bS)-8-(acetyloxy)-5-(2-bromobenzoyl)-1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,2-c]quinolin-1-yl acetate
Other name (1)：
  • 1,8-Diacetoxy-5-(2-bromobenzoyl)-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline
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