Chem
J-GLOBAL ID：200907009985174099   Nikkaji number：J1.761.682J

(3aα,6aα)-1-(1-Methylpyridinium-3-ylcarbonyl)-6-(2-naphthylmethyl)octahydrocyclopenta[b]pyrrole-6β-ol

(3aα,6aα)-1-(1-メチルピリジニウム-3-イルカルボニル)-6-(2-ナフチルメチル)オクタヒドロシクロペンタ[b]ピロール-6β-オール
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： C25H27N[N+]O2
Molecular formula furigana： C25-H27-N2-O2
Molecular weight： 387.502
InChI： InChI=1S/C25H27N2O2/c1-26-13-4-7-22(17-26)24(28)27-14-11-20-10-12-25(29,23(20)27)16-18-8-9-19-5-2-3-6-21(19)15-18/h2-9,13,15,17,20,23,29H,10-12,14,16H2,1H3/q+1/t20-,23+,25+/m1/s1
InChI key： PXFSXZXXAWVQJB-PBXXJUDPSA-N
SMILES： C[n+]1cccc(c1)C(=O)N1CC[C@H]2CC[C@](O)(Cc3ccc4ccccc4c3)[C@@H]12
Systematic name  (3)：
  • (3aα,6aα)-1-(1-メチルピリジニウム-3-イルカルボニル)-6-(2-ナフチルメチル)オクタヒドロシクロペンタ[b]ピロール-6β-オール
  • 3-[(3aR,6S,6aS)-6-ヒドロキシ-6-[(ナフタレン-2-イル)メチル]-オクタヒドロシクロペンタ[b]ピロール-1-カルボニル]-1-メチルピリジン-1-イウム
  • 3-[(3aR,6S,6aS)-6-hydroxy-6-[(naphthalen-2-yl)methyl]-octahydrocyclopenta[b]pyrrole-1-carbonyl]-1-methylpyridin-1-ium
Other name (1)：
  • (3aα,6aα)-1-(1-Methylpyridinium-3-ylcarbonyl)-6-(2-naphthylmethyl)octahydrocyclopenta[b]pyrrole-6β-ol
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