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LITSEAFOLOSIDE_D;3-HYDROXY-4-O-BETA-D-(6-O-VANILLOYLGLUCOPYRANOSYL)-BENZYL_VANILLOATE
SpectraBase Compound ID CGzUgiZB5nB
InChI InChI=1S/C29H30O14/c1-38-21-10-15(4-6-17(21)30)27(36)40-12-14-3-8-20(19(32)9-14)42-29-26(35)25(34)24(33)23(43-29)13-41-28(37)16-5-7-18(31)22(11-16)39-2/h3-11,23-26,29-35H,12-13H2,1-2H3/t23-,24-,25+,26-,29-/m0/s1
InChIKey MTCXVOPZQNWJOW-UTALBANFSA-N
Mol Weight 602.55 g/mol
Molecular Formula C29H30O14
Exact Mass 602.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Ic7xgn2ruT
Name LITSEAFOLOSIDE_D;3-HYDROXY-4-O-BETA-D-(6-O-VANILLOYLGLUCOPYRANOSYL)-BENZYL_VANILLOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30O14
InChI InChI=1S/C29H30O14/c1-38-21-10-15(4-6-17(21)30)27(36)40-12-14-3-8-20(19(32)9-14)42-29-26(35)25(34)24(33)23(43-29)13-41-28(37)16-5-7-18(31)22(11-16)39-2/h3-11,23-26,29-35H,12-13H2,1-2H3/t23-,24-,25+,26-,29-/m0/s1
InChIKey MTCXVOPZQNWJOW-UTALBANFSA-N
Literature Reference Author A.L.ZHANG,Q.YE,B.G.LI,H.Y.QI,G.L.ZHANG
Literature Reference Citation J.NAT.PROD.,68,1531(2005)
Literature Reference DOI 10.1021/np050285z
Molecular Weight 602.549 g/mol
Solvent CD3OD
Source File Reference UWMZ13010