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Parthenium hysterophorus plant of Asteraceae family known as Gajarghas in south India and has medicinal potential. This plant is well known in Homeopathy and there is no commercial medicine in allopathy. Parthenin is the major chemical constituent of the plant which has various medicinal properties. The objective of this study is to extract the Parthenin from the plant and to derive the Parthenin structure by 1D and 2D Nuclear Magnetic Resonance (NMR) studies.