John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ILlirEJDmLG SpectraBase Spectrum ID=11sQkC6W2U6

(accessed ).
RUTINE
SpectraBase Compound ID ILlirEJDmLG
InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChIKey IKGXIBQEEMLURG-NVPNHPEKSA-N
Mol Weight 610.52 g/mol
Molecular Formula C27H30O16
Exact Mass 610.153385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11sQkC6W2U6
Name RUTIN;QUERCETIN-3-O-RHAMNOPYRANOSYL-(1->6)-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O16
InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChIKey IKGXIBQEEMLURG-NVPNHPEKSA-N
Literature Reference Author C.Y.HUNG,Y.C.TSAI,K.Y.LI
Literature Reference Citation MOLECULES,17,10724(2012)
Literature Reference DOI 10.3390/molecules170910724
Molecular Weight 610.526 g/mol
Sample ID 633
Solvent CD3OD
SpectraBase Batch ID CvncQ02YiYE