Chem
J-GLOBAL ID：200907094997910731   Nikkaji number：J15.095I

β-Cyclocostunolide

β-シクロコスツノリド
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： C15H20O2
Molecular formula furigana： C15-H20-O2
Molecular weight： 232.323
InChI： InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1
InChI key： XUYAKPXYKQEFPD-SFDCQRBFSA-N
SMILES： C[C@]12CCCC(=C)[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2
Systematic name  (4)：
  • (3aS,9aβ,9bα)-3,9-ジメチレン-5aα-メチルデカヒドロナフト[1,2-b]フラン-2(3H)-オン
  • (3aS)-3a,4,5,5a,6,7,8,9,9aβ,9bα-デカヒドロ-5aα-メチル-3,9-ビス(メチレン)ナフト[1,2-b]フラン-2(3H)-オン
  • (3aS,5aR,9aS,9bS)-5a-メチル-3,9-ジメチリデン-ドデカヒドロナフト[1,2-b]フラン-2-オン
  • (3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-dodecahydronaphtho[1,2-b]furan-2-one
Other name (3)：
  • β-シクロコスツノリド
  • β-Cyclocostunolide
  • (3aS)-3a,4,5,5a,6,7,8,9,9aβ,9bα-Decahydro-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
CAS registry number： 2221-82-1
KEGG COMPOUND： C09384
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