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Comparison of crystal and solution structures and <sup>1</sup>H and <sup>13</sup>C chemical shifts for grandiflorenic acid, kaurenoic acid, and monoginoic acid
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1997
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Crystal StructureBioorganic ChemistryEngineeringSecondary MetaboliteChemistryCrystal Structure ConformationsBiosynthesisStructure ElucidationPhytochemicalInorganic ChemistrySolution StructuresMonoginoic AcidBiochemistryNatural Product SynthesisCrystallographyBiomolecular EngineeringNatural SciencesPhytochemistryGrandiflorenic Acid
The crystal structure of monoginoic acid, 3, is determined and compared with previously reported structures of kauradienoic acid, 1, and kaurenoic acid, 2. 1 H and 13 C chemical shifts are assigned for all three diterpenes and solution and crystal structure conformations are confirmed with the aid of solution NOE measurements. The overall shapes of 2 and 3 are very similar while 1 is significantly dissimilar. These differences may be partially responsible for the reported greater in vitro uterotropic activity of 1, relative to 2 and 3. Keywords: monoginoic acid, kaurodienoic acid, kaurenoic acid.