Chem
J-GLOBAL ID：200907017889968354   Nikkaji number：J15.250A

Achillin

アチリン
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： C15H18O3
Molecular formula furigana： C15-H18-O3
Molecular weight： 246.306
InChI： InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1
InChI key： BJPSSVHNEGMBDQ-OAACRXHESA-N
SMILES： C[C@@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C
Systematic name  (3)：
  • (3R)-3,6,9-トリメチル-2,3,3aβ,4,5,7,9aβ,9bα-オクタヒドロアズレノ[4,5-b]フラン-2,7-ジオン
  • (3R,3aS,9aS,9bS)-3,6,9-トリメチル-2H,3H,3aH,4H,5H,7H,9aH,9bH-アズレノ[4,5-b]フラン-2,7-ジオン
  • (3R,3aS,9aS,9bS)-3,6,9-trimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione
Other name (4)：
  • アキリン
  • アチリン
  • Achillin
  • (3R)-3,6,9-Trimethyl-2,3,3aβ,4,5,7,9aβ,9bα-octahydroazuleno[4,5-b]furan-2,7-dione
CAS registry number： 5956-04-7
KEGG COMPOUND： C09287
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