Chem
J-GLOBAL ID:200907050159991951   Nikkaji number:J936.580J

(1S,4R,7R)-6-Methyl-3,3-dimethoxy-7-acetylbicyclo[2.2.2]oct-5-en-2-one

(1S,4R,7R)-6-メチル-3,3-ジメトキシ-7-アセチルビシクロ[2.2.2]オクタ-5-エン-2-オン
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: C13H18O4
Molecular formula furigana: C13-H18-O4
Molecular weight: 238.283
InChI: InChI=1S/C13H18O4/c1-7-5-9-6-10(8(2)14)11(7)12(15)13(9,16-3)17-4/h5,9-11H,6H2,1-4H3/t9-,10-,11+/m0/s1
InChI key: KPONAUAFSYVVDR-GARJFASQSA-N
SMILES: COC1(OC)[C@@H]2C[C@H]([C@@H](C(=C2)C)C1=O)C(=O)C
Systematic name  (3):
  • (1S,4R,7R)-6-メチル-3,3-ジメトキシ-7-アセチルビシクロ[2.2.2]オクタ-5-エン-2-オン
  • (1S,4R,7R)-7-アセチル-3,3-ジメトキシ-6-メチルビシクロ[2.2.2]オクタ-5-エン-2-オン
  • (1S,4R,7R)-7-acetyl-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-en-2-one
Other name (1):
  • (1S,4R,7R)-6-Methyl-3,3-dimethoxy-7-acetylbicyclo[2.2.2]oct-5-en-2-one
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