Chem
J-GLOBAL ID：200907008838635459   Nikkaji number：J397.497I

Neocnidilide

ネオクニジリド
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： C12H18O2
Molecular formula furigana： C12-H18-O2
Molecular weight： 194.274
InChI： InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1
InChI key： UPJFTVFLSIQQAV-KOLCDFICSA-N
SMILES： CCCC[C@@H]1OC(=O)C2=CCCC[C@@H]12
Systematic name  (5)：
  • (3S)-3aβ,4,5,6-テトラヒドロ-3β-ブチルイソベンゾフラン-1(3H)-オン
  • (3S)-3β-ブチル-1,3,3aβ,4,5,6-ヘキサヒドロイソベンゾフラン-1-オン
  • (3S,3aR)-3β-ブチル-3aβ,4,5,6-テトラヒドロイソベンゾフラン-1(3H)-オン
  • (3S,3aR)-3-ブチル-1,3,3a,4,5,6-ヘキサヒドロ-2-ベンゾフラン-1-オン
  • (3S,3aR)-3-butyl-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-one
Other name (7)：
  • (3S)-3aβ,4,5,6-Tetrahydro-3β-butylisobenzofuran-1(3H)-one
  • ネオクニジリド
  • Neocnidilide
  • (3S)-3β-Butyl-1,3,3aβ,4,5,6-hexahydroisobenzofuran-1-one
  • trans-セダノリド
Show all
KEGG COMPOUND： C17002
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