Chem
J-GLOBAL ID：200907005431057273   Nikkaji number：J1.891.226K

(3aS,7aα)-1-(4-Methoxyphenyl)-2,3,6-trioxo-4β-methoxyoctahydro-1H-indole-3aα-carboxylic acid methyl ester

(3aS,7aα)-1-(4-メトキシフェニル)-2,3,6-トリオキソ-4β-メトキシオクタヒドロ-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： C18H19NO7
Molecular formula furigana： C18-H19-N-O7
Molecular weight： 361.350
InChI： InChI=1S/C18H19NO7/c1-24-12-6-4-10(5-7-12)19-13-8-11(20)9-14(25-2)18(13,17(23)26-3)15(21)16(19)22/h4-7,13-14H,8-9H2,1-3H3/t13-,14+,18+/m1/s1
InChI key： HRAARUPWUMPQMB-GLJUWKHASA-N
SMILES： CO[C@H]1CC(=O)C[C@H]2N(C(=O)C(=O)[C@@]12C(=O)OC)c1ccc(OC)cc1
Systematic name  (3)：
  • (3aS,7aα)-1-(4-メトキシフェニル)-2,3,6-トリオキソ-4β-メトキシオクタヒドロ-1H-インドール-3aα-カルボン酸メチル
  • メチル (3aS,4S,7aR)-4-メトキシ-1-(4-メトキシフェニル)-2,3,6-トリオキソ-オクタヒドロ-1H-インドール-3a-カルボキシラート
  • methyl (3aS,4S,7aR)-4-methoxy-1-(4-methoxyphenyl)-2,3,6-trioxo-octahydro-1H-indole-3a-carboxylate
Other name (1)：
  • (3aS,7aα)-1-(4-Methoxyphenyl)-2,3,6-trioxo-4β-methoxyoctahydro-1H-indole-3aα-carboxylic acid methyl ester
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