Chem
J-GLOBAL ID：200907083115264810   Nikkaji number：J2.363.274H

2-Oxo-7β-ethyl-2,3,3aβ,4,7,7aβ-hexahydrobenzofuran-4α-acetic acid

2-オキソ-7β-エチル-2,3,3aβ,4,7,7aβ-ヘキサヒドロベンゾフラン-4α-酢酸
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： C12H16O4
Molecular formula furigana： C12-H16-O4
Molecular weight： 224.256
InChI： InChI=1S/C12H16O4/c1-2-7-3-4-8(5-10(13)14)9-6-11(15)16-12(7)9/h3-4,7-9,12H,2,5-6H2,1H3,(H,13,14)/t7-,8+,9-,12+/m1/s1
InChI key： MURFOVWXNXCUNB-SREGZZRCSA-N
SMILES： CC[C@@H]1C=C[C@@H](CC(=O)O)[C@H]2CC(=O)O[C@@H]12
Systematic name  (3)：
  • 2-オキソ-7β-エチル-2,3,3aβ,4,7,7aβ-ヘキサヒドロベンゾフラン-4α-酢酸
  • 2-[(3aR,4R,7R,7aS)-7-エチル-2-オキソ-2,3,3a,4,7,7a-ヘキサヒドロ-1-ベンゾフラン-4-イル]酢酸
  • 2-[(3aR,4R,7R,7aS)-7-ethyl-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-4-yl]acetic acid
Other name (1)：
  • 2-Oxo-7β-ethyl-2,3,3aβ,4,7,7aβ-hexahydrobenzofuran-4α-acetic acid
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