Chem
J-GLOBAL ID：200907085546141638   Nikkaji number：J20.207J

Xerantholide

キセラントリド
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： C15H18O3
Molecular formula furigana： C15-H18-O3
Molecular weight： 246.306
InChI： InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1
InChI key： UQNONRHPSCIIJO-BNYHBGRESA-N
SMILES： C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12
Systematic name  (3)：
  • (3aR)-3aα,7,7aα,8,9,9aβ-ヘキサヒドロ-5,8β-ジメチル-3-メチレンアズレノ[6,5-b]フラン-2,6(3H,4H)-ジオン
  • (3aR,7aS,8S,9aS)-5,8-ジメチル-3-メチリデン-2H,3H,3aH,4H,6H,7H,7aH,8H,9H,9aH-アズレノ[6,5-b]フラン-2,6-ジオン
  • (3aR,7aS,8S,9aS)-5,8-dimethyl-3-methylidene-2H,3H,3aH,4H,6H,7H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2,6-dione
Other name (3)：
  • キセラントリド
  • Xerantholide
  • (3aR)-3aα,7,7aα,8,9,9aβ-Hexahydro-5,8β-dimethyl-3-methyleneazuleno[6,5-b]furan-2,6(3H,4H)-dione
CAS registry number： 65017-97-2
KEGG COMPOUND： C09605
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