Chem
J-GLOBAL ID：200907059799407790   Nikkaji number：J631.053B

Dehydrodiscretine

デヒドロジスクレチン
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： C20H20[N+]O4
Molecular formula furigana： C20-H20-N-O4
Molecular weight： 338.382
InChI： InChI=1S/C20H19NO4/c1-23-18-10-15-12(7-17(18)22)4-5-21-11-14-9-20(25-3)19(24-2)8-13(14)6-16(15)21/h6-11H,4-5H2,1-3H3/p+1
InChI key： YKOWIGFWFQCIKO-UHFFFAOYSA-O
SMILES： COc1cc2c(CC[n+]3cc4cc(OC)c(OC)cc4cc23)cc1O
Systematic name  (3)：
  • 5,6-ジヒドロ-2,10,11-トリメトキシジベンゾ[a,g]キノリジニウム-3-オール
  • 10-ヒドロキシ-2,3,11-トリメトキシ-7,8-ジヒドロ-6λ5-アザテトラフェン-6-イリウム
  • 10-hydroxy-2,3,11-trimethoxy-7,8-dihydro-6λ5-azatetraphen-6-ylium
Other name (3)：
  • デヒドロジスクレチン
  • Dehydrodiscretine
  • 5,6-Dihydro-2,10,11-trimethoxydibenzo[a,g]quinolizinium-3-ol
CAS registry number： 68947-61-5
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