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PERACETYL_QUERCETIN_3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE
SpectraBase Compound ID 7trb97SgOmZ
InChI InChI=1S/C44H46O24/c1-17-36(62-23(7)50)40(64-25(9)52)42(65-26(10)53)44(56-17)68-41-38(63-24(8)51)33(61-22(6)49)16-55-43(41)67-39-35(54)34-31(60-21(5)48)14-28(57-18(2)45)15-32(34)66-37(39)27-11-12-29(58-19(3)46)30(13-27)59-20(4)47/h11-15,17,33,36,38,40-44H,16H2,1-10H3/t17-,33-,36-,38-,40+,41+,42+,43-,44-/m1/s1
InChIKey OXZWABZXVXRIIZ-WDOPFJHFSA-N
Mol Weight 958.8 g/mol
Molecular Formula C44H46O24
Exact Mass 958.237902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EopSLaqfzig
Name PERACETYL_QUERCETIN_3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE
Compound Number 3AC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46O24
InChI InChI=1S/C44H46O24/c1-17-36(62-23(7)50)40(64-25(9)52)42(65-26(10)53)44(56-17)68-41-38(63-24(8)51)33(61-22(6)49)16-55-43(41)67-39-35(54)34-31(60-21(5)48)14-28(57-18(2)45)15-32(34)66-37(39)27-11-12-29(58-19(3)46)30(13-27)59-20(4)47/h11-15,17,33,36,38,40-44H,16H2,1-10H3/t17-,33-,36-,38-,40+,41+,42+,43-,44-/m1/s1
InChIKey OXZWABZXVXRIIZ-WDOPFJHFSA-N
Literature Reference Author M.HALABALAKI,A.URBAIN,A.PASCHALI,S.MITAKOU,F.TILLEQUIN,A.L.S KALTSOUNIS
Literature Reference Citation J.NAT.PROD.,74,1939(2011)
Literature Reference DOI 10.1021/np200444n
Molecular Weight 958.835 g/mol
Sample ID 39225
Solvent CDCl3