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3-O-[12'-[12''-O-(3'',5''-DIMETHOXY-6''-CARBOXYBIBENZYL)]-5'-METHOXY-6-'-CARBOXYBIBENZYL]-12-HYDROXY-5-METHOXYBIBENZYL-6-CARBOXYLIC-ACID
SpectraBase Compound ID Fmvd4LooQwY
InChI InChI=1S/C49H46O13/c1-57-38-23-32(44(47(51)52)41(26-38)58-2)14-6-30-10-19-36(20-11-30)62-40-25-34(46(49(55)56)43(28-40)60-4)16-7-31-12-21-37(22-13-31)61-39-24-33(45(48(53)54)42(27-39)59-3)15-5-29-8-17-35(50)18-9-29/h8-13,17-28,50H,5-7,14-16H2,1-4H3,(H,51,52)(H,53,54)(H,55,56)
InChIKey QOBJPZUCSCDPQJ-UHFFFAOYSA-N
Mol Weight 842.9 g/mol
Molecular Formula C49H46O13
Exact Mass 842.293842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUh7TZx4nkF
Name 3-O-[12'-[12''-O-(3'',5''-DIMETHOXY-6''-CARBOXYBIBENZYL)]-5'-METHOXY-6-'-CARBOXYBIBENZYL]-12-HYDROXY-5-METHOXYBIBENZYL-6-CARBOXYLIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H46O13
InChI InChI=1S/C49H46O13/c1-57-38-23-32(44(47(51)52)41(26-38)58-2)14-6-30-10-19-36(20-11-30)62-40-25-34(46(49(55)56)43(28-40)60-4)16-7-31-12-21-37(22-13-31)61-39-24-33(45(48(53)54)42(27-39)59-3)15-5-29-8-17-35(50)18-9-29/h8-13,17-28,50H,5-7,14-16H2,1-4H3,(H,51,52)(H,53,54)(H,55,56)
InChIKey QOBJPZUCSCDPQJ-UHFFFAOYSA-N
Literature Reference Author G.CIOFFI,P.MONTORO,O.L.D.UGAZ,A.VASSALLO,L.SEVERINO,C.PIZZA, N.D.TOMMASI
Literature Reference Citation MOLECULES,16,2527(2011)
Literature Reference DOI 10.3390/molecules16032527
Molecular Weight 842.896 g/mol
Sample ID 27
Solvent CD3OD