Chem
J-GLOBAL ID：200907013942295639   Nikkaji number：J12.219J

Parthenin

パルテニン
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： C15H18O4
Molecular formula furigana： C15-H18-O4
Molecular weight： 262.305
InChI： InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1
InChI key： LLQCRTZROWMVOL-JISBIHODSA-N
SMILES： C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]2(C)C(=O)C=C[C@@]12O
Systematic name  (4)：
  • (3aS)-3,3a,4,5,6,6a,9a,9bβ-オクタヒドロ-6aβ-ヒドロキシ-6α,9aα-ジメチル-3-メチレンアズレノ[4,5-b]フラン-2,9-ジオン
  • (3aS)-3-メチレン-6α,9aα-ジメチル-6aβ-ヒドロキシ-2,3,3aβ,4,5,6,6a,9,9a,9bβ-デカヒドロアズレノ[4,5-b]フラン-2,9-ジオン
  • (3aS,6S,6aS,9aS,9bR)-6a-ヒドロキシ-6,9a-ジメチル-3-メチリデン-2H,3H,3aH,4H,5H,6H,6aH,9H,9aH,9bH-アズレノ[4,5-b]フラン-2,9-ジオン
  • (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,6H,6aH,9H,9aH,9bH-azuleno[4,5-b]furan-2,9-dione
Other name (4)：
  • パルテニン
  • Parthenin
  • (3aS)-3,3a,4,5,6,6a,9a,9bβ-Octahydro-6aβ-hydroxy-6α,9aα-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dione
  • (3aS)-3-Methylene-6α,9aα-dimethyl-6aβ-hydroxy-2,3,3aβ,4,5,6,6a,9,9a,9bβ-decahydroazuleno[4,5-b]furan-2,9-dione
CAS registry number： 508-59-8
KEGG COMPOUND： C09523
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