Chem
J-GLOBAL ID：200907098282882337   Nikkaji number：J1.989.643I

Benzoic acid [(5α)-4,4-dimethyl-6α-isopropenyl-3-oxabicyclo[3.2.1]octane-1α-yl]methyl ester

安息香酸[(5α)-4,4-ジメチル-6α-イソプロペニル-3-オキサビシクロ[3.2.1]オクタン-1α-イル]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： C20H26O3
Molecular formula furigana： C20-H26-O3
Molecular weight： 314.425
InChI： InChI=1S/C20H26O3/c1-14(2)16-10-20(11-17(16)19(3,4)23-13-20)12-22-18(21)15-8-6-5-7-9-15/h5-9,16-17H,1,10-13H2,2-4H3/t16-,17+,20-/m0/s1
InChI key： AGCSDTJRDDXGBA-QKLQHJQFSA-N
SMILES： CC(=C)[C@@H]1C[C@@]2(COC(=O)c3ccccc3)C[C@H]1C(C)(C)OC2
Systematic name  (3)：
  • 安息香酸[(5α)-4,4-ジメチル-6α-イソプロペニル-3-オキサビシクロ[3.2.1]オクタン-1α-イル]メチル
  • [(1R,5R,6R)-4,4-ジメチル-6-(プロパ-1-エン-2-イル)-3-オキサビシクロ[3.2.1]オクタン-1-イル]メチル ベンゾアート
  • [(1R,5R,6R)-4,4-dimethyl-6-(prop-1-en-2-yl)-3-oxabicyclo[3.2.1]octan-1-yl]methyl benzoate
Other name (1)：
  • Benzoic acid [(5α)-4,4-dimethyl-6α-isopropenyl-3-oxabicyclo[3.2.1]octane-1α-yl]methyl ester
Thsaurus map：
Thesaurus Map

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