Chem
J-GLOBAL ID:200907089956012369   Nikkaji number:J2.363.273J

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

2-オキソ-7α-エチル-2,3,3aα,4,7,7aα-ヘキサヒドロベンゾフラン-4β-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+/m0/s1
InChI key: MURFOVWXNXCUNB-KIKITERTSA-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-7α-エチル-2,3,3aα,4,7,7aα-ヘキサヒドロベンゾフラン-4β-酢酸
  • 2-[(3aS,4S,7S,7aR)-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-[(3aS,4S,7S,7aR)-7-ethyl-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-4-yl]acetic acid
Other name (1):
  • 2-Oxo-7α-ethyl-2,3,3aα,4,7,7aα-hexahydrobenzofuran-4β-acetic acid
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