Chem
J-GLOBAL ID：200907085959301986   Nikkaji number：J961.816C

(4aS)-1-Hydroxy-6α-acetoxy-7α-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester

(4aS)-1-ヒドロキシ-6α-アセトキシ-7α-メチル-1,4aα,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-4-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： C13H18O6
Molecular formula furigana： C13-H18-O6
Molecular weight： 270.281
InChI： InChI=1S/C13H18O6/c1-6-10(19-7(2)14)4-8-9(12(15)17-3)5-18-13(16)11(6)8/h5-6,8,10-11,13,16H,4H2,1-3H3/t6-,8+,10-,11+,13?/m0/s1
InChI key： VYXOVWGFLROJHP-PPBAUIMQSA-N
SMILES： COC(=O)C1=COC(O)[C@@H]2[C@@H](C)[C@H](C[C@H]12)OC(=O)C
Systematic name  (3)：
  • (4aS)-1-ヒドロキシ-6α-アセトキシ-7α-メチル-1,4aα,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-4-カルボン酸メチル
  • メチル (4aS,6S,7R,7aS)-6-(アセチルオキシ)-1-ヒドロキシ-7-メチル-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-4-カルボキシラート
  • methyl (4aS,6S,7R,7aS)-6-(acetyloxy)-1-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
Other name (1)：
  • (4aS)-1-Hydroxy-6α-acetoxy-7α-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
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