Chem
J-GLOBAL ID：200907049704565525   Nikkaji number：J919.005H

3,3aβ,6,6aβ-Tetrahydro-2,5-dihydroxypentalene-1,4-bis(carboxylic acid methyl) ester

3,3aβ,6,6aβ-テトラヒドロ-2,5-ジヒドロキシペンタレン-1,4-ビス(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： C12H14O6
Molecular formula furigana： C12-H14-O6
Molecular weight： 254.238
InChI： InChI=1S/C12H14O6/c1-17-11(15)9-5-3-8(14)10(12(16)18-2)6(5)4-7(9)13/h5-6,13-14H,3-4H2,1-2H3/t5-,6-/m0/s1
InChI key： PYJGYFRREXXUPB-WDSKDSINSA-N
SMILES： COC(=O)C1=C(O)C[C@H]2[C@@H]1CC(=C2C(=O)OC)O
Systematic name  (5)：
  • (1S,5S)-3,7-ジヒドロキシビシクロ[3.3.0]オクタ-2,6-ジエン-2,6-ジカルボン酸ジメチル
  • (1β,5β)-3,7-ジヒドロキシビシクロ[3.3.0]オクタ-2,6-ジエン-2,6-ジカルボン酸ジメチル
  • 3,3aβ,6,6aβ-テトラヒドロ-2,5-ジヒドロキシペンタレン-1,4-ビス(カルボン酸メチル)
  • 1,4-ジメチル (3aS,6aS)-2,5-ジヒドロキシ-3,3a,6,6a-テトラヒドロペンタレン-1,4-ジカルボキシラート
  • 1,4-dimethyl (3aS,6aS)-2,5-dihydroxy-3,3a,6,6a-tetrahydropentalene-1,4-dicarboxylate
Other name (3)：
  • (1S,5S)-3,7-Dihydroxybicyclo[3.3.0]octa-2,6-diene-2,6-dicarboxylic acid dimethyl ester
  • (1β,5β)-3,7-Dihydroxybicyclo[3.3.0]octa-2,6-diene-2,6-dicarboxylic acid dimethyl ester
  • 3,3aβ,6,6aβ-Tetrahydro-2,5-dihydroxypentalene-1,4-bis(carboxylic acid methyl) ester
Thsaurus map：
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