Chem
J-GLOBAL ID：200907010773179773   Nikkaji number：J11.964D

Atractylenolide III

アトラクチレノリドIII
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： C15H20O3
Molecular formula furigana： C15-H20-O3
Molecular weight： 248.322
InChI： InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
InChI key： FBMORZZOJSDNRQ-GLQYFDAESA-N
SMILES： CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O
Systematic name  (4)：
  • (4aS)-4,4aα,5,6,7,8,8a,9-オクタヒドロ-9aβ-ヒドロキシ-5-メチレン-3,8aβ-ジメチルナフト[2,3-b]フラン-2(9aH)-オン
  • (4aS)-4a,5,6,7,8,8a,9,9a-オクタヒドロ-9aβ-ヒドロキシ-3,8aβ-ジメチル-5-メチレンナフト[2,3-b]フラン-2(4H)-オン
  • (4aS,8aR,9aS)-9a-ヒドロキシ-3,8a-ジメチル-5-メチリデン-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-ナフト[2,3-b]フラン-2-オン
  • (4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
Other name (7)：
  • アトラクチレノリドIII
  • Atractylenolide III
  • (4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
  • 8β-ヒドロキシアステロリド
  • 8β-Hydroxyasterolide
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CAS registry number： 73030-71-4
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