Chem
J-GLOBAL ID：200907064136991602   Nikkaji number：J213.081E

Illicinone A

イリシノンA
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： C15H18O3
Molecular formula furigana： C15-H18-O3
Molecular weight： 246.306
InChI： InChI=1S/C15H18O3/c1-4-5-12-9-15(7-6-11(2)3)14(8-13(12)16)17-10-18-15/h4,6,8-9H,1,5,7,10H2,2-3H3/t15-/m0/s1
InChI key： TYDFLFGNHKORKL-HNNXBMFYSA-N
SMILES： CC(=CC[C@@]12OCOC1=CC(=O)C(=C2)CC=C)C
Systematic name  (3)：
  • (S)-7a-(3-メチル-2-ブテニル)-6-(2-プロペニル)-1,3-ベンゾジオキソール-5(7aH)-オン
  • (7aS)-7a-(3-メチルブタ-2-エン-1-イル)-6-(プロパ-2-エン-1-イル)-5,7a-ジヒドロ-2H-1,3-ベンゾジオキソール-5-オン
  • (7aS)-7a-(3-methylbut-2-en-1-yl)-6-(prop-2-en-1-yl)-5,7a-dihydro-2H-1,3-benzodioxol-5-one
Other name (5)：
  • イリシノンA
  • (+)-イリシノンA
  • (+)-Illicinone A
  • Illicinone A
  • (S)-7a-(3-Methyl-2-butenyl)-6-(2-propenyl)-1,3-benzodioxol-5(7aH)-one
CAS registry number： 74730-21-5
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