Structural analysis of chlorogenic acid from red clover ( Trifolium pratense ) extract
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This paper presents the results of a structural analysis of chlorogenic acid isolated from a 70% ethanol extract of red clover ( Trifolium pratense ) callus culture. X-ray phase analysis showed that the sample was crystalline and single-phase and crystallized in an orthorhombic unit cell with the following parameters: a = 36.7548(5) Å, b = 11.0770(3) Å, c = 7.7947(2) Å, V = 3173.46(11) Å 3 , R-Bragg = 0.347 %, R exp = 4.75 %, R wp = 5.83 %, R p = 4.39 %, GOF = 1.23 %. NMR spectroscopy data ( 1 H, 13 C{ 1 H}, 2D 1 H 1 H-COSY, 1 H 13 C-HSQC, 1 H 13 C-HMBC) confirmed that the chemical structure and purity of the sample fully corresponded to chlorogenic acid, with no chemical impurities detected. Complete proton and carbon atom assignments are provided.