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METHYL_5-O-CAFFEOYL-4-O-SINPOYLQUINATE
SpectraBase Compound ID CEHfLXK4BzR
InChI InChI=1S/C28H30O13/c1-37-20-11-16(12-21(38-2)25(20)34)6-9-24(33)41-26-19(31)13-28(36,27(35)39-3)14-22(26)40-23(32)8-5-15-4-7-17(29)18(30)10-15/h4-12,19,22,26,29-31,34,36H,13-14H2,1-3H3/b8-5+,9-6+/t19-,22-,26-,28+/m0/s1
InChIKey HNVWFUAOTFONLC-OZJCCXEMSA-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 HcHOYWo8bX
Name METHYL_5-O-CAFFEOYL-4-O-SINPOYLQUINATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30O13
InChI InChI=1S/C28H30O13/c1-37-20-11-16(12-21(38-2)25(20)34)6-9-24(33)41-26-19(31)13-28(36,27(35)39-3)14-22(26)40-23(32)8-5-15-4-7-17(29)18(30)10-15/h4-12,19,22,26,29-31,34,36H,13-14H2,1-3H3/b8-5+,9-6+/t19-,22-,26-,28+/m0/s1
InChIKey HNVWFUAOTFONLC-OZJCCXEMSA-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 UWMZ18215