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TETRAGALLOYLQUINIC-ACID
SpectraBase Compound ID 1cxzltC4rRO
InChI InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)/t23-,24-,29-,35+/m1/s1
InChIKey JQVXKQDWMIXILH-ZVLUUUFJSA-N
Mol Weight 800.6 g/mol
Molecular Formula C35H28O22
Exact Mass 800.107223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIATNhhDifX
Name 1,3,4,5-TETRA-O-GALLOYLQUINIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H28O22
InChI InChI=1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(48)54-23-9-35(34(52)53,57-33(51)14-7-21(42)28(47)22(43)8-14)10-24(55-31(49)12-3-17(38)26(45)18(39)4-12)29(23)56-32(50)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-47H,9-10H2,(H,52,53)/t23-,24-,29-,35+/m1/s1
InChIKey JQVXKQDWMIXILH-ZVLUUUFJSA-N
Literature Reference Author M.NISHIZAWA,T.YAMAGISHI,G.E.DUTSCHMAN,W.B.PARKER,A.J.BODNER, R.E.KILKUSKIE,Y.C.CH
Literature Reference Citation J.NAT.PROD.,52,762(1989)
Literature Reference DOI 10.1021/np50064a016
Molecular Weight 800.594 g/mol
Solvent ACETONE-D6
Source File Reference UWTS84