Chem
J-GLOBAL ID：200907079349520058
Nikkaji number：J1.891.233C
(3S)-1-(4-Methoxyphenyl)-2-oxo-3β-hydroxy-7-methyl-2,3,3aα,4,7,7a-hexahydro-1H-indole-7aα-carboxylic acid methyl ester
(3S)-1-(4-メトキシフェニル)-2-オキソ-3β-ヒドロキシ-7-メチル-2,3,3aα,4,7,7a-ヘキサヒドロ-1H-インドール-7aα-カルボン酸メチル
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： C18H21NO5
Molecular formula furigana： C18-H21-N-O5
Molecular weight： 331.368
InChI：
InChI=1S/C18H21NO5/c1-11-5-4-6-14-15(20)16(21)19(18(11,14)17(22)24-3)12-7-9-13(23-2)10-8-12/h4-5,7-11,14-15,20H,6H2,1-3H3/t11?,14-,15+,18-/m1/s1
InChI key：
IGWHEZXBVZNNSI-UAEXBVIUSA-N
SMILES：
COC(=O)[C@]12[C@H](CC=CC1C)[C@H](O)C(=O)N2c1ccc(OC)cc1
Systematic name (3)：
- (3S)-1-(4-メトキシフェニル)-2-オキソ-3β-ヒドロキシ-7-メチル-2,3,3aα,4,7,7a-ヘキサヒドロ-1H-インドール-7aα-カルボン酸メチル
- メチル (3S,3aS,7aR)-3-ヒドロキシ-1-(4-メトキシフェニル)-7-メチル-2-オキソ-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
- methyl (3S,3aS,7aR)-3-hydroxy-1-(4-methoxyphenyl)-7-methyl-2-oxo-2,3,3a,4,7,7a-hexahydro-1H-indole-7a-carboxylate
- (3S)-1-(4-Methoxyphenyl)-2-oxo-3β-hydroxy-7-methyl-2,3,3aα,4,7,7a-hexahydro-1H-indole-7aα-carboxylic acid methyl ester
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