Chem
J-GLOBAL ID:200907027095221918   Nikkaji number:J1.220.607K

(1S,10bS)-1-(1,3-Dithiane-2-yl)-8,9-dimethoxy-10b-butyl-3-oxo-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid

(1S,10bS)-1-(1,3-ジチアン-2-イル)-8,9-ジメトキシ-10b-ブチル-3-オキソ-1,2,3,5,6,10b-ヘキサヒドロピロロ[2,1-a]イソキノリン-1-カルボン酸
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: C23H31NO5S2
Molecular formula furigana: C23-H31-N-O5-S2
Molecular weight: 465.620
InChI: InChI=1S/C23H31NO5S2/c1-4-5-8-23-16-13-18(29-3)17(28-2)12-15(16)7-9-24(23)19(25)14-22(23,20(26)27)21-30-10-6-11-31-21/h12-13,21H,4-11,14H2,1-3H3,(H,26,27)/t22-,23-/m0/s1
InChI key: QXLPPKVINQQVAW-GOTSBHOMSA-N
SMILES: CCCC[C@]12N(CCc3cc(OC)c(OC)cc13)C(=O)C[C@@]2(C1SCCCS1)C(=O)O
Systematic name  (3):
  • (1S,10bS)-1-(1,3-ジチアン-2-イル)-8,9-ジメトキシ-10b-ブチル-3-オキソ-1,2,3,5,6,10b-ヘキサヒドロピロロ[2,1-a]イソキノリン-1-カルボン酸
  • (1S,10bS)-10b-ブチル-1-(1,3-ジチアン-2-イル)-8,9-ジメトキシ-3-オキソ-1H,2H,3H,5H,6H,10bH-ピロロ[2,1-a]イソキノリン-1-カルボン酸
  • (1S,10bS)-10b-butyl-1-(1,3-dithian-2-yl)-8,9-dimethoxy-3-oxo-1H,2H,3H,5H,6H,10bH-pyrrolo[2,1-a]isoquinoline-1-carboxylic acid
Other name (1):
  • (1S,10bS)-1-(1,3-Dithiane-2-yl)-8,9-dimethoxy-10b-butyl-3-oxo-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
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