Chem
J-GLOBAL ID：200907087692534369   Nikkaji number：J356.270K

Atractylon

アトラクチロン
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： C15H20O
Molecular formula furigana： C15-H20-O
Molecular weight： 216.324
InChI： InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1
InChI key： TYPSVDGIQAOBAD-DZGCQCFKSA-N
SMILES： Cc1coc2C[C@@]3(C)CCCC(=C)[C@@H]3Cc12
Systematic name  (3)：
  • (4aS)-4,4aα,5,6,7,8,8a,9-オクタヒドロ-3,8aβ-ジメチル-5-メチレンナフト[2,3-b]フラン
  • (4aS,8aR)-3,8a-ジメチル-5-メチリデン-4H,4aH,5H,6H,7H,8H,8aH,9H-ナフト[2,3-b]フラン
  • (4aS,8aR)-3,8a-dimethyl-5-methylidene-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan
Other name (3)：
  • Atractylon
  • アトラクチロン
  • (4aS)-4,4aα,5,6,7,8,8a,9-Octahydro-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan
CAS registry number： 6989-21-5
KEGG COMPOUND： C16919
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