Chem
J-GLOBAL ID：200907057119930393   Nikkaji number：J1.295.606A

(1β,4β)-5α-Hydroxy-6-oxobicyclo[2.2.2]octane-2α,3α-dicarboxylic acid dimethyl ester

(1β,4β)-5α-ヒドロキシ-6-オキソビシクロ[2.2.2]オクタン-2α,3α-ジカルボン酸ジメチル
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： C12H16O6
Molecular formula furigana： C12-H16-O6
Molecular weight： 256.254
InChI： InChI=1S/C12H16O6/c1-17-11(15)7-5-3-4-6(10(14)9(5)13)8(7)12(16)18-2/h5-9,13H,3-4H2,1-2H3/t5-,6+,7-,8+,9+/m1/s1
InChI key： RDSVPMAPVSJFEC-DMAGGPPCSA-N
SMILES： COC(=O)[C@@H]1[C@H]2CC[C@@H]([C@@H]1C(=O)OC)C(=O)[C@H]2O
Systematic name  (3)：
  • (1β,4β)-5α-ヒドロキシ-6-オキソビシクロ[2.2.2]オクタン-2α,3α-ジカルボン酸ジメチル
  • 2,3-ジメチル (1S,2S,3R,4R,5S)-5-ヒドロキシ-6-オキソビシクロ[2.2.2]オクタン-2,3-ジカルボキシラート
  • 2,3-dimethyl (1S,2S,3R,4R,5S)-5-hydroxy-6-oxobicyclo[2.2.2]octane-2,3-dicarboxylate
Other name (1)：
  • (1β,4β)-5α-Hydroxy-6-oxobicyclo[2.2.2]octane-2α,3α-dicarboxylic acid dimethyl ester
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