Chem
J-GLOBAL ID：200907012632895680   Nikkaji number：J953.339G

(+)-Sceletium A4

(+)-セレチウムA4
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： C20H24N2O2
Molecular formula furigana： C20-H24-N2-O2
Molecular weight： 324.424
InChI： InChI=1S/C20H24N2O2/c1-22-12-10-20(14-6-7-17(23-2)18(13-14)24-3)9-8-16-15(19(20)22)5-4-11-21-16/h4-7,11,13,19H,8-10,12H2,1-3H3/t19-,20-/m0/s1
InChI key： VDUITLSRHOBYKB-PMACEKPBSA-N
SMILES： COc1ccc(cc1OC)[C@]12CCN(C)[C@H]1c1cccnc1CC2
Systematic name  (3)：
  • (3aS)-1-メチル-3aβ-(3,4-ジメトキシフェニル)-2,3,3a,4,5,9bβ-ヘキサヒドロ-1H-ピロロ[2,3-f]キノリン
  • (3aS,9bR)-3a-(3,4-ジメトキシフェニル)-1-メチル-1H,2H,3H,3aH,4H,5H,9bH-ピロロ[2,3-f]キノリン
  • (3aS,9bR)-3a-(3,4-dimethoxyphenyl)-1-methyl-1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[2,3-f]quinoline
Other name (3)：
  • (+)-セレチウムA4
  • (+)-Sceletium A4
  • (3aS)-1-Methyl-3aβ-(3,4-dimethoxyphenyl)-2,3,3a,4,5,9bβ-hexahydro-1H-pyrrolo[2,3-f]quinoline
KEGG COMPOUND： C12259
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