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CAS 5956-06-9

:

rel-(βR,1S,4R)-β,4-Dimethyl-1-(2-methyl-1-oxopropyl)-3-oxocyclohexanepropanoic acid

Description:
The chemical substance known as rel-(βR,1S,4R)-β,4-Dimethyl-1-(2-methyl-1-oxopropyl)-3-oxocyclohexanepropanoic acid, with the CAS number 5956-06-9, is a complex organic compound characterized by its cyclohexane structure and multiple functional groups. It features a cyclohexane ring substituted with various alkyl groups, including dimethyl and oxopropyl moieties, which contribute to its unique chemical properties. The presence of a carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit polar characteristics, influencing its solubility in different solvents. This compound may also display stereoisomerism due to the presence of chiral centers, leading to potential variations in biological activity and reactivity. Its structural complexity suggests potential applications in organic synthesis, pharmaceuticals, or as a biochemical intermediate. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.
Formula:C15H24O4
InChI:InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)/t10-,11-,15+/m1/s1
InChI key:InChIKey=ZIOCYJNRYIRTQD-HFAKWTLXSA-N
SMILES:[C@H](CC(O)=O)(C)[C@@]1(C(C(C)C)=O)CC(=O)[C@H](C)CC1
Synonyms:
  • Acoric acid
  • p-Menthane-9-carboxylic acid, 4-isobutyryl-2-oxo-
  • Cyclohexanepropanoic acid, β,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, [1α,1(S*),4α]-
  • rel-(βR,1S,4R)-β,4-Dimethyl-1-(2-methyl-1-oxopropyl)-3-oxocyclohexanepropanoic acid
  • Cyclohexanepropanoic acid, β,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, (βR,1S,4R)-rel-
  • Acoric acid >=95% (LC/MS-ELSD)
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