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PEDICULARIOSIDE-E;1'-O-BETA-D-(3-METHOXY-4-HYDROXY-BETA-PHENYL)-ETHYL-6'-O-FERULOYL-ALPHA-L-(2-ACETYL)-RHAMNOPYRANOSYL-(1->3')-4'-ACETYLGLUCOPYRANO
SpectraBase Compound ID 678SEYV6H9E
InChI InChI=1S/C35H44O17/c1-17-28(41)29(42)33(50-19(3)37)35(48-17)52-32-30(43)34(46-13-12-21-7-10-23(39)25(15-21)45-5)51-26(31(32)49-18(2)36)16-47-27(40)11-8-20-6-9-22(38)24(14-20)44-4/h6-11,14-15,17,26,28-35,38-39,41-43H,12-13,16H2,1-5H3/b11-8+/t17-,26-,28-,29+,30-,31-,32-,33+,34-,35-/m0/s1
InChIKey FZLKCOPKIRALLL-IVVKSGOWSA-N
Mol Weight 736.7 g/mol
Molecular Formula C35H44O17
Exact Mass 736.25785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AIUpvt9diC4
Name PEDICULARIOSIDE-E;1'-O-BETA-D-(3-METHOXY-4-HYDROXY-BETA-PHENYL)-ETHYL-6'-O-FERULOYL-ALPHA-L-(2-ACETYL)-RHAMNOPYRANOSYL-(1->3')-4'-ACETYLGLUCOPYRANO
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O17
InChI InChI=1S/C35H44O17/c1-17-28(41)29(42)33(50-19(3)37)35(48-17)52-32-30(43)34(46-13-12-21-7-10-23(39)25(15-21)45-5)51-26(31(32)49-18(2)36)16-47-27(40)11-8-20-6-9-22(38)24(14-20)44-4/h6-11,14-15,17,26,28-35,38-39,41-43H,12-13,16H2,1-5H3/b11-8+/t17-,26-,28-,29+,30-,31-,32-,33+,34-,35-/m0/s1
InChIKey FZLKCOPKIRALLL-IVVKSGOWSA-N
Literature Reference Author J.ZHONGJIAN,L.ZIMIN,W.CHANGZENG
Literature Reference Citation PHYTOCHEM.,31,263(1992)
Literature Reference DOI 10.1016/0031-9422(91)83050-U
Molecular Weight 736.724 g/mol
Solvent CD3OD
Source File Reference UWLU5310