Chem
J-GLOBAL ID:200907048719745540   Nikkaji number:J1.061.376K

(3aS)-3aα,4,5,6,7,7aα-Hexahydro-2,2-dimethyl-5-butyl-7β-butoxy-1,3-dioxolo[4,5-c]pyridine-4α-carboxylic acid methyl ester

メチル (3aS,4R,7R,7aR)-7-ブトキシ-5-ブチル-2,2-ジメチル-ヘキサヒドロ-2H-[1,3]ジオキソロ[4,5-c]ピリジン-4-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: C18H33NO5
Molecular formula furigana: C18-H33-N-O5
Molecular weight: 343.464
InChI: InChI=1S/C18H33NO5/c1-6-8-10-19-12-13(22-11-9-7-2)15-16(14(19)17(20)21-5)24-18(3,4)23-15/h13-16H,6-12H2,1-5H3/t13-,14-,15-,16+/m1/s1
InChI key: ALVLTGNGDRCDNB-FPCVCCKLSA-N
SMILES: CCCCO[C@@H]1CN(CCCC)[C@H]([C@@H]2OC(C)(C)O[C@H]12)C(=O)OC
Systematic name  (3):
  • (3aS)-3aα,4,5,6,7,7aα-ヘキサヒドロ-2,2-ジメチル-5-ブチル-7β-ブトキシ-1,3-ジオキソロ[4,5-c]ピリジン-4α-カルボン酸メチル
  • メチル (3aS,4R,7R,7aR)-7-ブトキシ-5-ブチル-2,2-ジメチル-ヘキサヒドロ-2H-[1,3]ジオキソロ[4,5-c]ピリジン-4-カルボキシラート
  • methyl (3aS,4R,7R,7aR)-7-butoxy-5-butyl-2,2-dimethyl-hexahydro-2H-[1,3]dioxolo[4,5-c]pyridine-4-carboxylate
Other name (1):
  • (3aS)-3aα,4,5,6,7,7aα-Hexahydro-2,2-dimethyl-5-butyl-7β-butoxy-1,3-dioxolo[4,5-c]pyridine-4α-carboxylic acid methyl ester
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