Chem
J-GLOBAL ID：200907032827011303   Nikkaji number：J1.891.223F

(3aS)-1-(4-Methoxyphenyl)-2,3-dioxo-4β-acetoxy-6-methyl-2,3,3a,4,7,7aα-hexahydro-1H-indole-3aα-carboxylic acid methyl ester

(3aS)-1-(4-メトキシフェニル)-2,3-ジオキソ-4β-アセトキシ-6-メチル-2,3,3a,4,7,7aα-ヘキサヒドロ-1H-インドール-3aα-カルボン酸メチル
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： C20H21NO7
Molecular formula furigana： C20-H21-N-O7
Molecular weight： 387.388
InChI： InChI=1S/C20H21NO7/c1-11-9-15-20(19(25)27-4,16(10-11)28-12(2)22)17(23)18(24)21(15)13-5-7-14(26-3)8-6-13/h5-8,10,15-16H,9H2,1-4H3/t15-,16+,20+/m1/s1
InChI key： VQYPZGHDGXLEDH-GUXCAODWSA-N
SMILES： COC(=O)[C@@]12[C@@H](CC(=C[C@@H]1OC(=O)C)C)N(C(=O)C2=O)c1ccc(OC)cc1
Systematic name  (3)：
  • (3aS)-1-(4-メトキシフェニル)-2,3-ジオキソ-4β-アセトキシ-6-メチル-2,3,3a,4,7,7aα-ヘキサヒドロ-1H-インドール-3aα-カルボン酸メチル
  • メチル (3aS,4S,7aR)-4-(アセチルオキシ)-1-(4-メトキシフェニル)-6-メチル-2,3-ジオキソ-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インドール-3a-カルボキシラート
  • methyl (3aS,4S,7aR)-4-(acetyloxy)-1-(4-methoxyphenyl)-6-methyl-2,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-indole-3a-carboxylate
Other name (1)：
  • (3aS)-1-(4-Methoxyphenyl)-2,3-dioxo-4β-acetoxy-6-methyl-2,3,3a,4,7,7aα-hexahydro-1H-indole-3aα-carboxylic acid methyl ester
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