Chem
J-GLOBAL ID：200907085540010914   Nikkaji number：J1.858.666E

(3aα,4S)-1,5-Dioxo-7aβ-methylhydrindane-4α-carboxylic acid methyl ester

(3aα,4S)-1,5-ジオキソ-7aβ-メチルヒドリンダン-4α-カルボン酸メチル
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： C12H16O4
Molecular formula furigana： C12-H16-O4
Molecular weight： 224.256
InChI： InChI=1S/C12H16O4/c1-12-6-5-8(13)10(11(15)16-2)7(12)3-4-9(12)14/h7,10H,3-6H2,1-2H3/t7-,10-,12-/m0/s1
InChI key： GUXSRJXCIKVXOU-JWYUURKGSA-N
SMILES： COC(=O)[C@H]1[C@@H]2CCC(=O)[C@@]2(C)CCC1=O
Systematic name  (3)：
  • (3aα,4S)-1,5-ジオキソ-7aβ-メチルヒドリンダン-4α-カルボン酸メチル
  • メチル (3aS,4S,7aS)-7a-メチル-1,5-ジオキソ-オクタヒドロ-1H-インデン-4-カルボキシラート
  • methyl (3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-indene-4-carboxylate
Other name (1)：
  • (3aα,4S)-1,5-Dioxo-7aβ-methylhydrindane-4α-carboxylic acid methyl ester
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