Chem
J-GLOBAL ID：200907085849762058   Nikkaji number：J2.504.247F

Cassiarin A

カッシアリンA
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： C13H11NO2
Molecular formula furigana： C13-H11-N-O2
Molecular weight： 213.236
InChI： InChI=1S/C13H11NO2/c1-7-3-9-5-10(15)6-12-13(9)11(14-7)4-8(2)16-12/h3-6,15H,1-2H3
InChI key： PEFIRMBVFBVVGZ-UHFFFAOYSA-N
SMILES： Cc1cc2cc(O)cc3OC(=Cc(n1)c23)C
Systematic name  (3)：
  • 2,5-ジメチルピラノ[2,3,4-ij]イソキノリン-8-オール
  • 3,7-ジメチル-2-オキサ-6-アザトリシクロ[7.3.1.05,13]トリデカ-1(12),3,5(13),6,8,10-ヘキサエン-11-オール
  • 3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaen-11-ol
Other name (3)：
  • 2,5-Dimethylpyrano[2,3,4-ij]isoquinoline-8-ol
  • カッシアリンA
  • Cassiarin A
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