Chem
J-GLOBAL ID：200907079992787355   Nikkaji number：J20.240A

Arbusculin A

アルブスクリンA
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： C15H22O3
Molecular formula furigana： C15-H22-O3
Molecular weight： 250.338
InChI： InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1
InChI key： BVRDNJZFYKHRJQ-CWFCOSEVSA-N
SMILES： C[C@@]1(O)CCC[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
Systematic name  (4)：
  • (3aS,9aβ,9bα)-3aβ,4,5,5a,6,7,8,9,9a,9b-デカヒドロ-9β-ヒドロキシ-5aα,9-ジメチル-3-メチレンナフト[1,2-b]フラン-2(3H)-オン
  • (3aS)-9β-ヒドロキシ-3-メチレン-5aα,9-ジメチル-3aβ,4,5,5a,6,7,8,9,9aβ,9bα-デカヒドロナフト[1,2-b]フラン-2(3H)-オン
  • (3aS,5aR,9R,9aS,9bS)-9-ヒドロキシ-5a,9-ジメチル-3-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,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-dodecahydronaphtho[1,2-b]furan-2-one
Other name (4)：
  • アルブスクリンA
  • Arbusculin A
  • (3aS,9aβ,9bα)-3aβ,4,5,5a,6,7,8,9,9a,9b-Decahydro-9β-hydroxy-5aα,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
  • (3aS)-9β-Hydroxy-3-methylene-5aα,9-dimethyl-3aβ,4,5,5a,6,7,8,9,9aβ,9bα-decahydronaphtho[1,2-b]furan-2(3H)-one
CAS registry number： 27652-22-8
KEGG COMPOUND： C09295
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