Chem
J-GLOBAL ID：200907033106918916   Nikkaji number：J489.519C

Kaerophyllin

ケロフィリン
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： C21H20O6
Molecular formula furigana： C21-H20-O6
Molecular weight： 368.385
InChI： InChI=1S/C21H20O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8+/t15-/m0/s1
InChI key： CSKOHFAJPKLSBP-MDNIKOHYSA-N
SMILES： COc1ccc(/C=C/2\[C@@H](Cc3ccc4OCOc4c3)COC2=O)cc1OC
Systematic name  (3)：
  • 3-[(E)-3,4-ジメトキシベンジリデン]-4β-[(1,3-ベンゾジオキソール-5-イル)メチル]-4,5-ジヒドロフラン-2(3H)-オン
  • (3E,4R)-4-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-3-[(3,4-ジメトキシフェニル)メチリデン]オキソラン-2-オン
  • (3E,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one
Other name (4)：
  • カエロフィリン
  • ケロフィリン
  • Kaerophyllin
  • 3-[(E)-3,4-Dimethoxybenzylidene]-4β-[(1,3-benzodioxole-5-yl)methyl]-4,5-dihydrofuran-2(3H)-one
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