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

CAS Registry Number®

5956-06-9

CAS Name

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

Molecular Formula

C15H24O4

Molecular Mass

268.35

Cite this Page

rel-(βR,1S,4R)-β,4-Dimethyl-1-(2-methyl-1-oxopropyl)-3-oxocyclohexanepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5956-06-9 (retrieved 2024-12-04) (CAS RN: 5956-06-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=ZIOCYJNRYIRTQD-HFAKWTLXSA-N

SMILES

[C@H](CC(O)=O)(C)[C@@]1(C(C(C)C)=O)CC(=O)[C@H](C)CC1

Canonical SMILES

O=C(O)CC(C)C1(C(=O)C(C)C)CC(=O)C(C)CC1

Other Names for this Substance

  • Cyclohexanepropanoic acid, β,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, (βR,1S,4R)-rel-
  • 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
  • Acoric acid

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