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IMPURITY-4;1-[[[(1-R)-1-[3-[(1-E)-2-(2-QUINOLINYL)-ETHENYL]-PHENYL-3-[2-(1-HYDROXY-1-METHYLETHYL)-PHENYL]-PROPYL]-THIO]-
SpectraBase Compound ID I6yqd0b25Lz
InChI InChI=1S/C35H37NO3S/c1-34(2,39)30-12-5-3-9-26(30)16-19-32(40-24-35(20-21-35)23-33(37)38)28-11-7-8-25(22-28)14-17-29-18-15-27-10-4-6-13-31(27)36-29/h3-15,17-18,22,32,39H,16,19-21,23-24H2,1-2H3,(H,37,38)/b17-14+/t32-/m0/s1
InChIKey HGDAZKIPCBJUFV-KKVVDXQQSA-N
Mol Weight 551.7 g/mol
Molecular Formula C35H37NO3S
Exact Mass 551.249415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EuTS6cya5
Name IMPURITY-4;1-[[[(1-R)-1-[3-[(1-E)-2-(2-QUINOLINYL)-ETHENYL]-PHENYL-3-[2-(1-HYDROXY-1-METHYLETHYL)-PHENYL]-PROPYL]-THIO]-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H37NO3S
InChI InChI=1S/C35H37NO3S/c1-34(2,39)30-12-5-3-9-26(30)16-19-32(40-24-35(20-21-35)23-33(37)38)28-11-7-8-25(22-28)14-17-29-18-15-27-10-4-6-13-31(27)36-29/h3-15,17-18,22,32,39H,16,19-21,23-24H2,1-2H3,(H,37,38)/b17-14+/t32-/m0/s1
InChIKey HGDAZKIPCBJUFV-KKVVDXQQSA-N
Literature Reference Author M.SARAVANAN,K.S.KUMARI,P.P.REDDY,M.N.NAIDU,J.M.BABU,A.K.SRIV ASTAVA,T.L.KUMAR,B.V
Literature Reference Citation J.PHARM.BIOM.ANAL.,48,708(2008)
Literature Reference DOI 10.1016/j.jpba.2008.07.007
Molecular Weight 551.744 g/mol
Solvent CDCl3
Source File Reference UWMZ44295