Chem
J-GLOBAL ID：200907008326129705   Nikkaji number：J1.975.134A

3,4,4aα,7,8,8aα-Hexahydro-4α,7β-dimethyl-1H-2-benzopyran-1-one

3,4,4aα,7,8,8aα-ヘキサヒドロ-4α,7β-ジメチル-1H-2-ベンゾピラン-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： C11H16O2
Molecular formula furigana： C11-H16-O2
Molecular weight： 180.247
InChI： InChI=1S/C11H16O2/c1-7-3-4-9-8(2)6-13-11(12)10(9)5-7/h3-4,7-10H,5-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChI key： IYUGDNUABZELLT-UTINFBMNSA-N
SMILES： C[C@H]1C[C@@H]2[C@H](C=C1)[C@@H](C)COC2=O
Systematic name  (5)：
  • (4R)-4α,7β-ジメチル-3,4,4aα,7,8,8aα-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
  • 3,4,4aα,7,8,8aα-ヘキサヒドロ-4α,7β-ジメチル-1H-2-ベンゾピラン-1-オン
  • (4aR)-4α,7β-ジメチル-3,4,4aα,7,8,8aα-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
  • (4R,4aR,7S,8aR)-4,7-ジメチル-3,4,4a,7,8,8a-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
  • (4R,4aR,7S,8aR)-4,7-dimethyl-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
Other name (4)：
  • (4R)-4α,7β-Dimethyl-3,4,4aα,7,8,8aα-hexahydro-1H-2-benzopyran-1-one
  • 3,4,4aα,7,8,8aα-Hexahydro-4α,7β-dimethyl-1H-2-benzopyran-1-one
  • (4aR)-4α,7β-Dimethyl-3,4,4aα,7,8,8aα-hexahydro-1H-2-benzopyran-1-one
  • (4R,4aR,7S,8aR)-4,7-Dimethyl-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
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