Chem
J-GLOBAL ID:200907048158910686   Nikkaji number:J717.181A

1α-Hydroxy-2,2-dimethyl-3aβ,6,7,7aβ-tetrahydroindan-4-carboxylic acid methyl ester

1α-ヒドロキシ-2,2-ジメチル-3aβ,6,7,7aβ-テトラヒドロインダン-4-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: C13H20O3
Molecular formula furigana: C13-H20-O3
Molecular weight: 224.300
InChI: InChI=1S/C13H20O3/c1-13(2)7-10-8(11(13)14)5-4-6-9(10)12(15)16-3/h6,8,10-11,14H,4-5,7H2,1-3H3/t8-,10-,11-/m0/s1
InChI key: IBILTZVZPVJWRY-LSJOCFKGSA-N
SMILES: COC(=O)C1=CCC[C@@H]2[C@H](O)C(C)(C)C[C@H]12
Systematic name  (5):
  • 1α-ヒドロキシ-2,2-ジメチル-3aβ,6,7,7aβ-テトラヒドロインダン-4-カルボン酸メチル
  • (1S)-1α-ヒドロキシ-2,2-ジメチル-2,3,3aβ,6,7,7aβ-ヘキサヒドロ-1H-インデン-4-カルボン酸メチル
  • (1S,3aS,7aS)-1-ヒドロキシ-2,2-ジメチル-2,3,3a,6,7,7a-ヘキサヒドロ-1H-インデン-4-カルボン酸メチル
  • メチル (1S,3aS,7aS)-1-ヒドロキシ-2,2-ジメチル-2,3,3a,6,7,7a-ヘキサヒドロ-1H-インデン-4-カルボキシラート
  • methyl (1S,3aS,7aS)-1-hydroxy-2,2-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylate
Other name (3):
  • 1α-Hydroxy-2,2-dimethyl-3aβ,6,7,7aβ-tetrahydroindan-4-carboxylic acid methyl ester
  • (1S)-1α-Hydroxy-2,2-dimethyl-2,3,3aβ,6,7,7aβ-hexahydro-1H-indene-4-carboxylic acid methyl ester
  • (1S,3aS,7aS)-1-Hydroxy-2,2-dimethyl-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylic acid methyl ester
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