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METHYL_5-O-CAFFEOYL-3-O-SINPOYLQUINATE
SpectraBase Compound ID 9AGYyrqp4GB
InChI InChI=1S/C28H30O13/c1-37-19-11-16(12-20(38-2)25(19)33)6-9-24(32)41-22-14-28(36,27(35)39-3)13-21(26(22)34)40-23(31)8-5-15-4-7-17(29)18(30)10-15/h4-12,21-22,26,29-30,33-34,36H,13-14H2,1-3H3/b8-5+,9-6+/t21-,22-,26+,28-/m0/s1
InChIKey QXOKQINPRTYYQK-MORGYPQKSA-N
Mol Weight 574.54 g/mol
Molecular Formula C28H30O13
Exact Mass 574.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TwCbtnU4Hv
Name METHYL_5-O-CAFFEOYL-3-O-SINPOYLQUINATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30O13
InChI InChI=1S/C28H30O13/c1-37-19-11-16(12-20(38-2)25(19)33)6-9-24(32)41-22-14-28(36,27(35)39-3)13-21(26(22)34)40-23(31)8-5-15-4-7-17(29)18(30)10-15/h4-12,21-22,26,29-30,33-34,36H,13-14H2,1-3H3/b8-5+,9-6+/t21-,22-,26+,28-/m0/s1
InChIKey QXOKQINPRTYYQK-MORGYPQKSA-N
Literature Reference Author H.J.KIM,E.J.KIM,S.H.SEO,C.G.SHIN,C.JIN,Y.S.LEE
Literature Reference Citation J.NAT.PROD.,69,600(2006)
Literature Reference DOI 10.1021/np050447r
Molecular Weight 574.538 g/mol
Solvent CD3OD
Source File Reference UWMZ18217