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CAS 88165-26-8

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Methyl (3aR,7R,7aS)-3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylate

Description:
Methyl (3aR,7R,7aS)-3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylate, with CAS number 88165-26-8, is a chemical compound characterized by its complex bicyclic structure, which includes a benzodioxole moiety. This compound features multiple stereocenters, contributing to its specific three-dimensional configuration, which can influence its biological activity and interactions. The presence of a carboxylate ester functional group suggests potential reactivity and solubility in organic solvents. The hydroxyl group enhances its polarity, potentially affecting its solubility in water and its ability to participate in hydrogen bonding. Methyl esters like this compound are often studied for their pharmacological properties, including potential applications in medicinal chemistry. Additionally, the compound's structural features may allow it to interact with various biological targets, making it of interest in drug development and research. Overall, its unique structural characteristics and functional groups contribute to its potential utility in various chemical and biological applications.
Formula:C11H16O5
InChI:InChI=1S/C11H16O5/c1-11(2)15-8-5-6(10(13)14-3)4-7(12)9(8)16-11/h5,7-9,12H,4H2,1-3H3/t7-,8-,9+/m1/s1
InChI key:InChIKey=BPQMQIJLKGETOF-HLTSFMKQSA-N
SMILES:O[C@H]1[C@]2([C@@](C=C(C(OC)=O)C1)(OC(C)(C)O2)[H])[H]
Synonyms:
  • 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-, methyl ester, [3aR-(3aα,7α,7aα)]-
  • Methyl (3aR,7R,7aS)-3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylate
  • 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-, methyl ester, (3aR,7R,7aS)-
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