Chem
J-GLOBAL ID：200907002567410989
Nikkaji number：J1.665.968A
(3aS)-2,2-Dimethyl-7-oxo-2,3,3aα,4,7,7aα-hexahydro-1H-indene-5-carboxylic acid methyl ester
(3aS)-2,2-ジメチル-7-オキソ-2,3,3aα,4,7,7aα-ヘキサヒドロ-1H-インデン-5-カルボン酸メチル
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
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
Molecular formula： C13H18O3
Molecular formula furigana： C13-H18-O3
Molecular weight： 222.284
InChI：
InChI=1S/C13H18O3/c1-13(2)6-9-4-8(12(15)16-3)5-11(14)10(9)7-13/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChI key：
LBRMLPIVJFJDFV-ZJUUUORDSA-N
SMILES：
COC(=O)C1=CC(=O)[C@H]2CC(C)(C)C[C@H]2C1
Systematic name (3)：
- (3aS)-2,2-ジメチル-7-オキソ-2,3,3aα,4,7,7aα-ヘキサヒドロ-1H-インデン-5-カルボン酸メチル
- メチル (3aS,7aS)-2,2-ジメチル-7-オキソ-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インデン-5-カルボキシラート
- methyl (3aS,7aS)-2,2-dimethyl-7-oxo-2,3,3a,4,7,7a-hexahydro-1H-indene-5-carboxylate
- (3aS)-2,2-Dimethyl-7-oxo-2,3,3aα,4,7,7aα-hexahydro-1H-indene-5-carboxylic acid methyl ester
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