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KHAEPHUOSIDE-B

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KHAEPHUOSIDE-B
SpectraBase Compound ID 3MMcQ0DioeT
InChI InChI=1S/C28H36O16/c1-36-16-7-13(5-6-15(16)30)25(34)40-11-28(35)12-41-27(24(28)33)44-23-21(32)20(31)19(10-29)43-26(23)42-14-8-17(37-2)22(39-4)18(9-14)38-3/h5-9,19-21,23-24,26-27,29-33,35H,10-12H2,1-4H3/t19-,20-,21+,23-,24+,26-,27+,28-/m1/s1
InChIKey FNNPPDWPJSIZBK-NSUMHAEISA-N
Mol Weight 628.6 g/mol
Molecular Formula C28H36O16
Exact Mass 628.200335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41hKz1kCARi
Name KHAEPHUOSIDE-B;3,4,5-TRIMETHOXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXY-3-METHOXYBENZOYL)]-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE;REFERENCE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O16
InChI InChI=1S/C28H36O16/c1-36-16-7-13(5-6-15(16)30)25(34)40-11-28(35)12-41-27(24(28)33)44-23-21(32)20(31)19(10-29)43-26(23)42-14-8-17(37-2)22(39-4)18(9-14)38-3/h5-9,19-21,23-24,26-27,29-33,35H,10-12H2,1-4H3/t19-,20-,21+,23-,24+,26-,27+,28-/m1/s1
InChIKey FNNPPDWPJSIZBK-NSUMHAEISA-N
Literature Reference Author T.YIN,G.TU,Q.ZHANG,B.WANG,Y.ZHAO
Literature Reference Citation MAGN.RES.CHEM.,46,387(2008)
Literature Reference DOI 10.1002/mrc.2189
Molecular Weight 628.584 g/mol
Solvent CD3OD
Source File Reference UWIR17475