Chem
J-GLOBAL ID：200907082173494439   Nikkaji number：J2.083.875B

2-(4-Oxobutyl)-2,6-dimethyl-5-methoxy-7-(hydroxymethyl)-2H-1-benzopyran-8-carboxylic acid lactone

4-{5-メトキシ-2,6-ジメチル-9-オキソ-2H,7H,9H-フロ[3,4-h]クロメン-2-イル}ブタナール
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： C18H20O5
Molecular formula furigana： C18-H20-O5
Molecular weight： 316.353
InChI： InChI=1S/C18H20O5/c1-11-13-10-22-17(20)14(13)16-12(15(11)21-3)6-8-18(2,23-16)7-4-5-9-19/h6,8-9H,4-5,7,10H2,1-3H3
InChI key： SFZGBFIAEPMHNH-UHFFFAOYSA-N
SMILES： COc1c(C)c2COC(=O)c2c2OC(C)(CCCC=O)C=Cc12
Systematic name  (3)：
  • 2-(4-オキソブチル)-2,6-ジメチル-5-メトキシ-7-(ヒドロキシメチル)-2H-1-ベンゾピラン-8-カルボン酸ラクトン
  • 4-{5-メトキシ-2,6-ジメチル-9-オキソ-2H,7H,9H-フロ[3,4-h]クロメン-2-イル}ブタナール
  • 4-{5-methoxy-2,6-dimethyl-9-oxo-2H,7H,9H-furo[3,4-h]chromen-2-yl}butanal
Other name (1)：
  • 2-(4-Oxobutyl)-2,6-dimethyl-5-methoxy-7-(hydroxymethyl)-2H-1-benzopyran-8-carboxylic acid lactone
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