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CHRYSOERIOL-7-O-[2''-O-(5'''-O-FERULOYL)-BETA-D-APIOFURANOSYL]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID ANewB1OCkKE
InChI InChI=1S/C37H38O18/c1-48-25-9-17(3-6-20(25)39)4-8-29(43)50-15-37(47)16-51-36(34(37)46)55-33-32(45)31(44)28(14-38)54-35(33)52-19-11-22(41)30-23(42)13-24(53-27(30)12-19)18-5-7-21(40)26(10-18)49-2/h3-13,28,31-36,38-41,44-47H,14-16H2,1-2H3/b8-4+/t28-,31-,32+,33-,34+,35-,36+,37-/m0/s1
InChIKey RATKAOGGXJTNHL-OEFUFSPESA-N
Mol Weight 770.7 g/mol
Molecular Formula C37H38O18
Exact Mass 770.205814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eng7jHJP45p
Name CHRYSOERIOL-7-O-[2''-O-(5'''-O-FERULOYL)-BETA-D-APIOFURANOSYL]-BETA-D-GLUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H38O18
InChI InChI=1S/C37H38O18/c1-48-25-9-17(3-6-20(25)39)4-8-29(43)50-15-37(47)16-51-36(34(37)46)55-33-32(45)31(44)28(14-38)54-35(33)52-19-11-22(41)30-23(42)13-24(53-27(30)12-19)18-5-7-21(40)26(10-18)49-2/h3-13,28,31-36,38-41,44-47H,14-16H2,1-2H3/b8-4+/t28-,31-,32+,33-,34+,35-,36+,37-/m0/s1
InChIKey RATKAOGGXJTNHL-OEFUFSPESA-N
Literature Reference Author K.ZHOU,F.ZHAO,Z.LIU,Y.ZHUANG,L.CHEN,F.QIU
Literature Reference Citation J.NAT.PROD.,72,1563(2009)
Literature Reference DOI 10.1021/np900117v
Molecular Weight 770.698 g/mol
Sample ID 33452
Solvent DMSO-D6