Chem
J-GLOBAL ID：200907014242008562
Nikkaji number：J1.891.234A
(3S)-1-(4-Methoxyphenyl)-2-oxo-3β-hydroxy-5-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-5-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/c1-11-8-9-18(17(22)24-3)14(10-11)15(20)16(21)19(18)12-4-6-13(23-2)7-5-12/h4-8,14-15,20H,9-10H2,1-3H3/t14-,15+,18-/m1/s1
InChI key：
TUWRYALYUJVUMU-RVKKMQEKSA-N
SMILES：
COC(=O)[C@@]12CC=C(C)C[C@@H]1[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-5-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)-5-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)-5-methyl-2-oxo-2,3,3a,4,7,7a-hexahydro-1H-indole-7a-carboxylate
- (3S)-1-(4-Methoxyphenyl)-2-oxo-3β-hydroxy-5-methyl-2,3,3aα,4,7,7a-hexahydro-1H-indole-7aα-carboxylic acid methyl ester
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