Chem
J-GLOBAL ID：200907023405587769   Nikkaji number：J1.464.187D

5α-Methyl-3-oxo-1,3,3aβ,4,5,7aβ-hexahydroisobenzofuran

6β-メチル-1,3,3aα,6,7,7aα-ヘキサヒドロイソベンゾフラン-1-オン
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： C9H12O2
Molecular formula furigana： C9-H12-O2
Molecular weight： 152.193
InChI： InChI=1S/C9H12O2/c1-6-2-3-7-5-11-9(10)8(7)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7-,8-/m1/s1
InChI key： QLUZGXTYFZJNDE-BWZBUEFSSA-N
SMILES： C[C@H]1C[C@@H]2[C@@H](COC2=O)C=C1
Systematic name  (6)：
  • 6β-メチル-3aα,6,7,7aα-テトラヒドロイソベンゾフラン-1(3H)-オン
  • 5α-メチル-3-オキソ-1,3,3aβ,4,5,7aβ-ヘキサヒドロイソベンゾフラン
  • 6β-メチル-1,3,3aα,6,7,7aα-ヘキサヒドロイソベンゾフラン-1-オン
  • (3aS,6S,7aR)-6-メチル-3a,6,7,7a-テトラヒドロイソベンゾフラン-1(3H)-オン
  • (3aS,6S,7aR)-6-メチル-1,3,3a,6,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
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Other name (4)：
  • 6β-Methyl-3aα,6,7,7aα-tetrahydroisobenzofuran-1(3H)-one
  • 5α-Methyl-3-oxo-1,3,3aβ,4,5,7aβ-hexahydroisobenzofuran
  • 6β-Methyl-1,3,3aα,6,7,7aα-hexahydroisobenzofuran-1-one
  • (3aS,6S,7aR)-6-Methyl-3a,6,7,7a-tetrahydroisobenzofuran-1(3H)-one
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