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3,4,5-TRI-O-GALLOYLQUINIC-ACID

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3,4,5-TRI-O-GALLOYLQUINIC-ACID
SpectraBase Compound ID 9Mm99t7K6Da
InChI InChI=1S/C28H24O18/c29-12-1-9(2-13(30)20(12)35)24(38)44-18-7-28(43,27(41)42)8-19(45-25(39)10-3-14(31)21(36)15(32)4-10)23(18)46-26(40)11-5-16(33)22(37)17(34)6-11/h1-6,18-19,23,29-37,43H,7-8H2,(H,41,42)/t18-,19-,23-,28+/m1/s1
InChIKey PEOHIPMSHPWYAQ-LGFATHPOSA-N
Mol Weight 648.48 g/mol
Molecular Formula C28H24O18
Exact Mass 648.096264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErE15ne5lZ2
Name 3,4,5-TRI-O-GALLOYLQUINIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24O18
InChI InChI=1S/C28H24O18/c29-12-1-9(2-13(30)20(12)35)24(38)44-18-7-28(43,27(41)42)8-19(45-25(39)10-3-14(31)21(36)15(32)4-10)23(18)46-26(40)11-5-16(33)22(37)17(34)6-11/h1-6,18-19,23,29-37,43H,7-8H2,(H,41,42)/t18-,19-,23-,28+/m1/s1
InChIKey PEOHIPMSHPWYAQ-LGFATHPOSA-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 648.488 g/mol
Solvent ACETONE-D6
Source File Reference UWTS83