Chem
J-GLOBAL ID：200907009299539587   Nikkaji number：J2.357.567A

Demethyleneberberine

デメチレンベルベリン
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： C19H18[N+]O4
Molecular formula furigana： C19-H18-N-O4
Molecular weight： 324.355
InChI： InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1
InChI key： HVTCKKMWZDDWOY-UHFFFAOYSA-O
SMILES： COc1ccc2cc3c4cc(O)c(O)cc4CC[n+]3cc2c1OC
Systematic name  (4)：
  • 5,6-ジヒドロ-2,3-ジヒドロキシ-9,10-ジメトキシジベンゾ[a,g]キノリジニウム
  • 2,3-ジヒドロキシ-9,10-ジメトキシ-5,6-ジヒドロジベンゾ[a,g]キノリジニウム
  • 10,11-ジヒドロキシ-3,4-ジメトキシ-7,8-ジヒドロ-6λ5-アザテトラフェン-6-イリウム
  • 10,11-dihydroxy-3,4-dimethoxy-7,8-dihydro-6λ5-azatetraphen-6-ylium
Other name (4)：
  • 5,6-Dihydro-2,3-dihydroxy-9,10-dimethoxydibenzo[a,g]quinolizinium
  • 2,3-Dihydroxy-9,10-dimethoxy-5,6-dihydrodibenzo[a,g]quinolizinium
  • デメチレンベルベリン
  • Demethyleneberberine
CAS registry number： 25459-91-0
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