Chem
J-GLOBAL ID：201707006413319030   Nikkaji number：J3.589.806I

1-Methyl-2-oxo-7α-benzyl-7aβ-hydroxy-1,2,3,4,5,6,7,7a-octahydro-4aH-cyclopenta[b]pyridine-4aβ-carboxylic acid tert-butyl ester

tert-ブチル (4aR,7R,7aR)-7-ベンジル-7a-ヒドロキシ-1-メチル-2-オキソ-オクタヒドロ-1H-シクロペンタ[b]ピリジン-4a-カルボキシラート
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： C21H29NO4
Molecular formula furigana： C21-H29-N-O4
Molecular weight： 359.466
InChI： InChI=1S/C21H29NO4/c1-19(2,3)26-18(24)20-12-10-16(14-15-8-6-5-7-9-15)21(20,25)22(4)17(23)11-13-20/h5-9,16,25H,10-14H2,1-4H3/t16-,20+,21-/m1/s1
InChI key： NLUPIJFQQJQRDH-TYCQWZJGSA-N
SMILES： CN1C(=O)CC[C@@]2(CC[C@H](Cc3ccccc3)[C@]12O)C(=O)OC(C)(C)C
Systematic name  (3)：
  • 1-メチル-2-オキソ-7α-ベンジル-7aβ-ヒドロキシ-1,2,3,4,5,6,7,7a-オクタヒドロ-4aH-シクロペンタ[b]ピリジン-4aβ-カルボン酸tert-ブチル
  • tert-ブチル (4aR,7R,7aR)-7-ベンジル-7a-ヒドロキシ-1-メチル-2-オキソ-オクタヒドロ-1H-シクロペンタ[b]ピリジン-4a-カルボキシラート
  • tert-butyl (4aR,7R,7aR)-7-benzyl-7a-hydroxy-1-methyl-2-oxo-octahydro-1H-cyclopenta[b]pyridine-4a-carboxylate
Other name (1)：
  • 1-Methyl-2-oxo-7α-benzyl-7aβ-hydroxy-1,2,3,4,5,6,7,7a-octahydro-4aH-cyclopenta[b]pyridine-4aβ-carboxylic acid tert-butyl ester
Thsaurus map：
Thesaurus Map

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