Chem
J-GLOBAL ID：200907078825790488   Nikkaji number：J1.280.716C

2-Hydroxyethylgardenamide A

2-ヒドロキシエチルガルデナミドA
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： C13H17NO5
Molecular formula furigana： C13-H17-N-O5
Molecular weight： 267.281
InChI： InChI=1S/C13H17NO5/c1-19-13(18)10-6-14(4-5-15)12(17)11-8(7-16)2-3-9(10)11/h2,6,9,11,15-16H,3-5,7H2,1H3/t9-,11-/m1/s1
InChI key： MLKFESWUFLKYRE-MWLCHTKSSA-N
SMILES： COC(=O)C1=CN(CCO)C(=O)[C@H]2[C@@H]1CC=C2CO
Systematic name  (4)：
  • (4aS)-2,4aα,5,7aα-テトラヒドロ-1-オキソ-2-(2-ヒドロキシエチル)-7-(ヒドロキシメチル)-1H-2-ピリンジン-4-カルボン酸メチル
  • (4aS)-1-オキソ-2-(2-ヒドロキシエチル)-7-(ヒドロキシメチル)-2,4aα,5,7aα-テトラヒドロ-1H-シクロペンタ[c]ピリジン-4-カルボン酸メチル
  • メチル (4aS,7aS)-2-(2-ヒドロキシエチル)-7-(ヒドロキシメチル)-1-オキソ-1H,2H,4aH,5H,7aH-シクロペンタ[c]ピリジン-4-カルボキシラート
  • methyl (4aS,7aS)-2-(2-hydroxyethyl)-7-(hydroxymethyl)-1-oxo-1H,2H,4aH,5H,7aH-cyclopenta[c]pyridine-4-carboxylate
Other name (4)：
  • (4aS)-2,4aα,5,7aα-Tetrahydro-1-oxo-2-(2-hydroxyethyl)-7-(hydroxymethyl)-1H-2-pyrindine-4-carboxylic acid methyl ester
  • (4aS)-1-Oxo-2-(2-hydroxyethyl)-7-(hydroxymethyl)-2,4aα,5,7aα-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylic acid methyl ester
  • 2-ヒドロキシエチルガルデナミドA
  • 2-Hydroxyethylgardenamide A
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