Chem
J-GLOBAL ID：200907088850964798
Nikkaji number：J724.291C
1-Phenyl-2,3-dioxo-3aα-benzoyl-4β-acetoxy-1,2,3,3a,4,7-hexahydro-7aH-indole-7aα-carboxylic acid ethyl ester
1-フェニル-2,3-ジオキソ-3aα-ベンゾイル-4β-アセトキシ-1,2,3,3a,4,7-ヘキサヒドロ-7aH-インドール-7aα-カルボン酸エチル
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
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
Molecular formula： C26H23NO7
Molecular formula furigana： C26-H23-N-O7
Molecular weight： 461.470
InChI：
InChI=1S/C26H23NO7/c1-3-33-24(32)25-16-10-15-20(34-17(2)28)26(25,21(29)18-11-6-4-7-12-18)22(30)23(31)27(25)19-13-8-5-9-14-19/h4-15,20H,3,16H2,1-2H3/t20-,25-,26-/m0/s1
InChI key：
KBLRXQYPSVBANH-XZZVZQAVSA-N
SMILES：
CCOC(=O)[C@@]12CC=C[C@H](OC(=O)C)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1
Systematic name (3)：
- 1-フェニル-2,3-ジオキソ-3aα-ベンゾイル-4β-アセトキシ-1,2,3,3a,4,7-ヘキサヒドロ-7aH-インドール-7aα-カルボン酸エチル
- エチル (3aR,4S,7aR)-4-(アセチルオキシ)-3a-ベンゾイル-2,3-ジオキソ-1-フェニル-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インドール-7a-カルボキシラート
- ethyl (3aR,4S,7aR)-4-(acetyloxy)-3a-benzoyl-2,3-dioxo-1-phenyl-2,3,3a,4,7,7a-hexahydro-1H-indole-7a-carboxylate
- 1-Phenyl-2,3-dioxo-3aα-benzoyl-4β-acetoxy-1,2,3,3a,4,7-hexahydro-7aH-indole-7aα-carboxylic acid ethyl ester
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