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VANILLIC_ACID_4-O-BETA-D-(6'-SINAPOYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID 5vmIUHDtVSf
InChI InChI=1S/C25H28O13/c1-33-15-10-13(24(31)32)5-6-14(15)37-25-23(30)22(29)21(28)18(38-25)11-36-19(26)7-4-12-8-16(34-2)20(27)17(9-12)35-3/h4-10,18,21-23,25,27-30H,11H2,1-3H3,(H,31,32)/b7-4+/t18-,21-,22+,23-,25-/m0/s1
InChIKey SSFMJKGLSYRLSQ-WSDPCOFISA-N
Mol Weight 536.49 g/mol
Molecular Formula C25H28O13
Exact Mass 536.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lu2iTHfCGlc
Name VANILLIC_ACID_4-O-BETA-D-(6'-SINAPOYL)-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O13
InChI InChI=1S/C25H28O13/c1-33-15-10-13(24(31)32)5-6-14(15)37-25-23(30)22(29)21(28)18(38-25)11-36-19(26)7-4-12-8-16(34-2)20(27)17(9-12)35-3/h4-10,18,21-23,25,27-30H,11H2,1-3H3,(H,31,32)/b7-4+/t18-,21-,22+,23-,25-/m0/s1
InChIKey SSFMJKGLSYRLSQ-WSDPCOFISA-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 536.490 g/mol
Solvent CD3OD
Source File Reference UWMZ18214