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4-O-GALLOYLCHLOROGENIC-ACID

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4-O-GALLOYLCHLOROGENIC-ACID
SpectraBase Compound ID 8MMIgfwmB0g
InChI InChI=1S/C23H22O13/c24-12-3-1-10(5-13(12)25)2-4-18(29)35-17-9-23(34,22(32)33)8-16(28)20(17)36-21(31)11-6-14(26)19(30)15(27)7-11/h1-7,16-17,20,24-28,30,34H,8-9H2,(H,32,33)/b4-2+/t16-,17-,20-,23+/m0/s1
InChIKey JODSXMBDAMZIDL-PZNIAYIGSA-N
Mol Weight 506.42 g/mol
Molecular Formula C23H22O13
Exact Mass 506.106041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nxgSqeNzU1
Name 4-O-GALLOYLCHLOROGENIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O13
InChI InChI=1S/C23H22O13/c24-12-3-1-10(5-13(12)25)2-4-18(29)35-17-9-23(34,22(32)33)8-16(28)20(17)36-21(31)11-6-14(26)19(30)15(27)7-11/h1-7,16-17,20,24-28,30,34H,8-9H2,(H,32,33)/b4-2+/t16-,17-,20-,23+/m0/s1
InChIKey JODSXMBDAMZIDL-PZNIAYIGSA-N
Literature Reference Author J.MA,X.D.LUO,P.PROTIVA,H.YANG,C.MA,M.J.BASILE,I.B.WEINSTEIN, E.J.KENNELLY
Literature Reference Citation J.NAT.PROD.,66,983(2003)
Literature Reference DOI 10.1021/np020576x
Molecular Weight 506.420 g/mol
Solvent CD3OD
Source File Reference UWSP111