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#2;MILLETTIASPECOSIDE-B;2-METHOXY-4-HYDROXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXY-3,5-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE

View entire compound with spectra: 1 NMR

#2;MILLETTIASPECOSIDE-B;2-METHOXY-4-HYDROXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXY-3,5-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 366NTziRGO6
InChI InChI=1S/C27H34O16/c1-36-15-8-13(29)4-5-14(15)41-25-22(21(32)20(31)18(9-28)42-25)43-26-23(33)27(35,11-40-26)10-39-24(34)12-6-16(37-2)19(30)17(7-12)38-3/h4-8,18,20-23,25-26,28-33,35H,9-11H2,1-3H3/t18-,20-,21+,22-,23+,25-,26+,27-/m1/s1
InChIKey JKCCRKMUKGMXTI-ODUOMTQPSA-N
Mol Weight 614.6 g/mol
Molecular Formula C27H34O16
Exact Mass 614.184685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuhEmZ1qpO6
Name #2;MILLETTIASPECOSIDE-B;2-METHOXY-4-HYDROXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXY-3,5-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O16
InChI InChI=1S/C27H34O16/c1-36-15-8-13(29)4-5-14(15)41-25-22(21(32)20(31)18(9-28)42-25)43-26-23(33)27(35,11-40-26)10-39-24(34)12-6-16(37-2)19(30)17(7-12)38-3/h4-8,18,20-23,25-26,28-33,35H,9-11H2,1-3H3/t18-,20-,21+,22-,23+,25-,26+,27-/m1/s1
InChIKey JKCCRKMUKGMXTI-ODUOMTQPSA-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 614.557 g/mol
Solvent DMSO-D6
Source File Reference UWIR17472