Chem
J-GLOBAL ID：200907000429981620   Nikkaji number：J697.359K

(3S,3aR,4R,7S,7aS)-Octahydro-4-methyl-7-isopropyl-2-oxo-3-benzofurancarboxylic acid

(3S,3aR,4R,7S,7aS)-オクタヒドロ-4-メチル-7-イソプロピル-2-オキソ-3-ベンゾフランカルボン酸
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： C13H20O4
Molecular formula furigana： C13-H20-O4
Molecular weight： 240.299
InChI： InChI=1S/C13H20O4/c1-6(2)8-5-4-7(3)9-10(12(14)15)13(16)17-11(8)9/h6-11H,4-5H2,1-3H3,(H,14,15)/t7-,8+,9-,10+,11+/m1/s1
InChI key： ZPPRPIIDLDLUAY-XXFSISAASA-N
SMILES： CC(C)[C@@H]1CC[C@@H](C)[C@H]2[C@H]1OC(=O)[C@@H]2C(=O)O
Systematic name  (3)：
  • (3S,3aR,4R,7S,7aS)-オクタヒドロ-4-メチル-7-イソプロピル-2-オキソ-3-ベンゾフランカルボン酸
  • (3S,3aR,4R,7S,7aS)-4-メチル-2-オキソ-7-(プロパン-2-イル)-オクタヒドロ-1-ベンゾフラン-3-カルボン酸
  • (3S,3aR,4R,7S,7aS)-4-methyl-2-oxo-7-(propan-2-yl)-octahydro-1-benzofuran-3-carboxylic acid
Other name (1)：
  • (3S,3aR,4R,7S,7aS)-Octahydro-4-methyl-7-isopropyl-2-oxo-3-benzofurancarboxylic acid
Thsaurus map：
Thesaurus Map

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