Chem
J-GLOBAL ID：200907003879181207   Nikkaji number：J18.671F

Columellarin

コルメラリン
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： C15H20O2
Molecular formula furigana： C15-H20-O2
Molecular weight： 232.323
InChI： InChI=1S/C15H20O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h8,12-14H,3-7H2,1-2H3/t8-,12+,13-,14+/m1/s1
InChI key： GAPVTYWDGWKUKK-XAGKMFGPSA-N
SMILES： C[C@@H]1CCC2=C(C)C[C@@H]3OC(=O)C(=C)[C@H]3C[C@@H]12
Systematic name  (3)：
  • (3aR)-3aα,4,4aα,5,6,7,9,9aβ-オクタヒドロ-5α,8-ジメチル-3-メチレンアズレノ[6,5-b]フラン-2(3H)-オン
  • (3aR,4aS,5R,9aS)-5,8-ジメチル-3-メチリデン-2H,3H,3aH,4H,4aH,5H,6H,7H,9H,9aH-アズレノ[6,5-b]フラン-2-オン
  • (3aR,4aS,5R,9aS)-5,8-dimethyl-3-methylidene-2H,3H,3aH,4H,4aH,5H,6H,7H,9H,9aH-azuleno[6,5-b]furan-2-one
Other name (3)：
  • コルメラリン
  • Columellarin
  • (3aR)-3aα,4,4aα,5,6,7,9,9aβ-Octahydro-5α,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-one
CAS registry number： 66873-37-8
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