Chem
J-GLOBAL ID：200907035849732160   Nikkaji number：J1.859.297E

(4aR)-5-Methyl-8β-isopropyl-3,4,4aα,7,8,8aβ-hexahydro-1H-2-benzopyran-1-one

(4aR)-5-メチル-8β-イソプロピル-3,4,4aα,7,8,8aβ-ヘキサヒドロ-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： C13H20O2
Molecular formula furigana： C13-H20-O2
Molecular weight： 208.301
InChI： InChI=1S/C13H20O2/c1-8(2)10-5-4-9(3)11-6-7-15-13(14)12(10)11/h4,8,10-12H,5-7H2,1-3H3/t10-,11-,12-/m0/s1
InChI key： LYCXVHWSXVHMLS-SRVKXCTJSA-N
SMILES： CC(C)[C@@H]1CC=C(C)[C@@H]2CCOC(=O)[C@@H]12
Systematic name  (3)：
  • (4aR)-5-メチル-8β-イソプロピル-3,4,4aα,7,8,8aβ-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
  • (4aR,8S,8aS)-5-メチル-8-(プロパン-2-イル)-3,4,4a,7,8,8a-ヘキサヒドロ-1H-2-ベンゾピラン-1-オン
  • (4aR,8S,8aS)-5-methyl-8-(propan-2-yl)-3,4,4a,7,8,8a-hexahydro-1H-2-benzopyran-1-one
Other name (1)：
  • (4aR)-5-Methyl-8β-isopropyl-3,4,4aα,7,8,8aβ-hexahydro-1H-2-benzopyran-1-one
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