Chem
J-GLOBAL ID：200907016858736378   Nikkaji number：J717.311C

3α-Acetoxy-4-cyclohexene-1α-carboxylic acid methyl ester

3α-アセトキシ-4-シクロヘキセン-1α-カルボン酸メチル
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： C10H14O4
Molecular formula furigana： C10-H14-O4
Molecular weight： 198.218
InChI： InChI=1S/C10H14O4/c1-7(11)14-9-5-3-4-8(6-9)10(12)13-2/h3,5,8-9H,4,6H2,1-2H3/t8-,9+/m0/s1
InChI key： QMTVKLPUNFKWES-DTWKUNHWSA-N
SMILES： COC(=O)[C@H]1CC=C[C@H](C1)OC(=O)C
Systematic name  (5)：
  • 5β-アセトキシ-3-シクロヘキセン-1β-カルボン酸メチル
  • 3α-アセトキシ-4-シクロヘキセン-1α-カルボン酸メチル
  • (1S,5S)-5-アセトキシ-3-シクロヘキセン-1-カルボン酸メチル
  • メチル (1S,5S)-5-(アセチルオキシ)シクロヘキサ-3-エン-1-カルボキシラート
  • methyl (1S,5S)-5-(acetyloxy)cyclohex-3-ene-1-carboxylate
Other name (3)：
  • 5β-Acetoxy-3-cyclohexene-1β-carboxylic acid methyl ester
  • 3α-Acetoxy-4-cyclohexene-1α-carboxylic acid methyl ester
  • (1S,5S)-5-Acetoxy-3-cyclohexene-1-carboxylic acid methyl ester
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