Chem
J-GLOBAL ID：200907075090473336   Nikkaji number：J929.388D

(1R)-2α,5-Dihydroxy-1,2,3,3aβ,6,6aβ-hexahydropentalene-1β,4-dicarboxylic acid dimethyl ester

(1R)-2α,5-ジヒドロキシ-1,2,3,3aβ,6,6aβ-ヘキサヒドロペンタレン-1β,4-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)9-5-3-8(14)10(12(16)18-2)6(5)4-7(9)13/h5-7,9,13-14H,3-4H2,1-2H3/t5-,6-,7+,9+/m0/s1
InChI key： OKVLBTCUTUPYHZ-XZMZPDFPSA-N
SMILES： COC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2C(=O)OC)O
Systematic name  (3)：
  • (1R)-2α,5-ジヒドロキシ-1,2,3,3aβ,6,6aβ-ヘキサヒドロペンタレン-1β,4-ジカルボン酸ジメチル
  • 1,4-ジメチル (1R,2R,3aS,6aS)-2,5-ジヒドロキシ-1,2,3,3a,6,6a-ヘキサヒドロペンタレン-1,4-ジカルボキシラート
  • 1,4-dimethyl (1R,2R,3aS,6aS)-2,5-dihydroxy-1,2,3,3a,6,6a-hexahydropentalene-1,4-dicarboxylate
Other name (1)：
  • (1R)-2α,5-Dihydroxy-1,2,3,3aβ,6,6aβ-hexahydropentalene-1β,4-dicarboxylic acid dimethyl ester
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