Chem
J-GLOBAL ID：200907004661874479   Nikkaji number：J1.147.845J

(4β,7S)-1α,3,3-Trimethoxy-5-methyl-7-acetylbicyclo[2.2.2]octa-5-ene-2-one

(4β,7S)-1α,3,3-トリメトキシ-5-メチル-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： C14H20O5
Molecular formula furigana： C14-H20-O5
Molecular weight： 268.309
InChI： InChI=1S/C14H20O5/c1-8-7-13(17-3)11(9(2)15)6-10(8)14(18-4,19-5)12(13)16/h7,10-11H,6H2,1-5H3/t10-,11+,13+/m0/s1
InChI key： MPJKIJQLEOZXEY-DMDPSCGWSA-N
SMILES： COC1(OC)[C@H]2C[C@H](C(=O)C)[C@](OC)(C=C2C)C1=O
Systematic name  (3)：
  • (4β,7S)-1α,3,3-トリメトキシ-5-メチル-7-アセチルビシクロ[2.2.2]オクタ-5-エン-2-オン
  • (1R,4S,7S)-7-アセチル-1,3,3-トリメトキシ-5-メチルビシクロ[2.2.2]オクタ-5-エン-2-オン
  • (1R,4S,7S)-7-acetyl-1,3,3-trimethoxy-5-methylbicyclo[2.2.2]oct-5-en-2-one
Other name (1)：
  • (4β,7S)-1α,3,3-Trimethoxy-5-methyl-7-acetylbicyclo[2.2.2]octa-5-ene-2-one
Thsaurus map：
Thesaurus Map

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