Chem
J-GLOBAL ID：200907052020382740   Nikkaji number：J17.981G

Betagarin

ベタガリン
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： C18H16O6
Molecular formula furigana： C18-H16-O6
Molecular weight： 328.320
InChI： InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3
InChI key： IHPVFYLOGNNZLA-UHFFFAOYSA-N
SMILES： COc1ccccc1C1CC(=O)c2c(O1)cc1OCOc1c2OC
Systematic name  (3)：
  • 6,7-ジヒドロ-9-メトキシ-6-(2-メトキシフェニル)-8H-1,3-ジオキソロ[4,5-g][1]ベンゾピラン-8-オン
  • 2-メトキシ-11-(2-メトキシフェニル)-4,6,10-トリオキサトリシクロ[7.4.0.03,7]トリデカ-1(9),2,7-トリエン-13-オン
  • 2-methoxy-11-(2-methoxyphenyl)-4,6,10-trioxatricyclo[7.4.0.03,7]trideca-1(9),2,7-trien-13-one
Other name (3)：
  • ベタガリン
  • Betagarin
  • 6,7-Dihydro-9-methoxy-6-(2-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
CAS registry number： 60132-69-6
KEGG COMPOUND： C09479
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