Chem
J-GLOBAL ID：200907011728466814   Nikkaji number：J13.440F

Ligustilide

リグスチリド
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： C12H14O2
Molecular formula furigana： C12-H14-O2
Molecular weight： 190.242
InChI： InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3
InChI key： IQVQXVFMNOFTMU-UHFFFAOYSA-N
SMILES： CCCC=C1OC(=O)C2=C1CCC=C2
Systematic name  (4)：
  • 3-ブチリデン-4,5-ジヒドロフタリド
  • 3-ブチリデン-4,5-ジヒドロイソベンゾフラン-1(3H)-オン
  • 3-ブチリデン-1,3,4,5-テトラヒドロ-2-ベンゾフラン-1-オン
  • 3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one
Other name (3)：
  • リグスチリド
  • Ligustilide
  • 3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
CAS registry number： 4431-01-0
KEGG COMPOUND： C16987
Application (1)：
plant preparation
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