Chem
J-GLOBAL ID：201807010114227663
Nikkaji number：J3.680.024K
(8R,8aS,11bR)-3-Oxo-8-hydroxy-5,6,7,8,8a,9,10,11b-octahydro-3H-pyrido[3,2,1-jk][1]benzoazepine-8a-carboxylic acid methyl ester
メチル (9S,10R,14R)-10-ヒドロキシ-2-オキソ-1-アザトリシクロ[7.4.1.05,14]テトラデカ-3,5-ジエン-9-カルボキシラート
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： C15H19NO4
Molecular formula furigana： C15-H19-N-O4
Molecular weight： 277.320
InChI：
InChI=1S/C15H19NO4/c1-20-14(19)15-8-2-4-10-6-7-12(18)16(13(10)15)9-3-5-11(15)17/h4,6-7,11,13,17H,2-3,5,8-9H2,1H3/t11-,13-,15-/m1/s1
InChI key：
ISXBCCBADDCIGO-UXIGCNINSA-N
SMILES：
COC(=O)[C@]12CCC=C3C=CC(=O)N(CCC[C@H]1O)[C@@H]23
Systematic name (3)：
- (8R,8aS,11bR)-3-オキソ-8-ヒドロキシ-5,6,7,8,8a,9,10,11b-オクタヒドロ-3H-ピリド[3,2,1-jk][1]ベンゾアゼピン-8a-カルボン酸メチル
- メチル (9S,10R,14R)-10-ヒドロキシ-2-オキソ-1-アザトリシクロ[7.4.1.05,14]テトラデカ-3,5-ジエン-9-カルボキシラート
- methyl (9S,10R,14R)-10-hydroxy-2-oxo-1-azatricyclo[7.4.1.05,14]tetradeca-3,5-diene-9-carboxylate
- (8R,8aS,11bR)-3-Oxo-8-hydroxy-5,6,7,8,8a,9,10,11b-octahydro-3H-pyrido[3,2,1-jk][1]benzoazepine-8a-carboxylic acid methyl ester
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