Chem
J-GLOBAL ID：200907078040102123   Nikkaji number：J508.860G

(+)-Mesembrine

(+)-メセンブリン
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： C17H23NO3
Molecular formula furigana： C17-H23-N-O3
Molecular weight： 289.375
InChI： InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m1/s1
InChI key： DAHIQPJTGIHDGO-IAGOWNOFSA-N
SMILES： COc1ccc(cc1OC)[C@@]12CCN(C)[C@@H]1CC(=O)CC2
Systematic name  (4)：
  • (3aR,7aα)-オクタヒドロ-3aα-(3,4-ジメトキシフェニル)-1-メチル-6H-インドール-6-オン
  • (7aα)-1-メチル-3aα-(3,4-ジメトキシフェニル)オクタヒドロ-6H-インドール-6-オン
  • (3aR,7aR)-3a-(3,4-ジメトキシフェニル)-1-メチル-オクタヒドロ-1H-インドール-6-オン
  • (3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-octahydro-1H-indol-6-one
Other name (4)：
  • (+)-メセンブリン
  • (+)-Mesembrine
  • (3aR,7aα)-Octahydro-3aα-(3,4-dimethoxyphenyl)-1-methyl-6H-indol-6-one
  • (7aα)-1-Methyl-3aα-(3,4-dimethoxyphenyl)octahydro-6H-indole-6-one
CAS registry number： 468-53-1
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