Chem
J-GLOBAL ID：200907017983197833   Nikkaji number：J1.307.173J

(+)-Esermethole

(+)-エセルメトール
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： C14H20N2O
Molecular formula furigana： C14-H20-N2-O
Molecular weight： 232.327
InChI： InChI=1S/C14H20N2O/c1-14-7-8-15(2)13(14)16(3)12-6-5-10(17-4)9-11(12)14/h5-6,9,13H,7-8H2,1-4H3/t13-,14+/m0/s1
InChI key： WKJDLYATGMSVOQ-UONOGXRCSA-N
SMILES： COc1ccc2N(C)[C@@H]3N(C)CC[C@]3(C)c2c1
Systematic name  (4)：
  • (3aR)-5-メトキシ-1,3aβ,8-トリメチル-1,2,3,3a,8,8aβ-ヘキサヒドロピロロ[2,3-b]インドール
  • (3aR)-1,3aβ,8-トリメチル-5-メトキシ-1,2,3,3a,8,8aβ-ヘキサヒドロピロロ[2,3-b]インドール
  • (3aR,8aS)-5-メトキシ-1,3a,8-トリメチル-1H,2H,3H,3aH,8H,8aH-ピロロ[2,3-b]インドール
  • (3aR,8aS)-5-methoxy-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indole
Other name (6)：
  • (3aR)-5-Methoxy-1,3aβ,8-trimethyl-1,2,3,3a,8,8aβ-hexahydropyrrolo[2,3-b]indole
  • (+)-ent-Esermethole
  • (+)-ent-エセルメトール
  • (3aR)-1,3aβ,8-Trimethyl-5-methoxy-1,2,3,3a,8,8aβ-hexahydropyrrolo[2,3-b]indole
  • (+)-エセルメトール
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