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HQIeSFOrKAp
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HQIeSFOrKAp
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13C NMR
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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CENTABRACTEIN;QUERCETIN-3-O-BETA-D-GLUCOPYRANOSIDE-3'-SULPHATE-SODIUM-SALT
SpectraBase Compound ID 3wU3FEjSXLo
InChI InChI=1S/C21H20O15S.Na/c22-6-13-15(26)17(28)18(29)21(34-13)35-20-16(27)14-10(25)4-8(23)5-12(14)33-19(20)7-1-2-9(24)11(3-7)36-37(30,31)32;/h1-5,13,15,17-18,21-26,28-29H,6H2,(H,30,31,32);/q;+1/p-1/t13-,15-,17+,18-,21+;/m1./s1
InChIKey SZTOYDFPTCKULE-NMPVGNQTSA-M
Mol Weight 566.42 g/mol
Molecular Formula C21H19NaO15S
Exact Mass 566.034235 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQIeSFOrKAp
Name CENTABRACTEIN;QUERCETIN-3-O-BETA-D-GLUCOPYRANOSIDE-3'-SULPHATE-SODIUM-SALT
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19NaO15S
InChI InChI=1S/C21H20O15S.Na/c22-6-13-15(26)17(28)18(29)21(34-13)35-20-16(27)14-10(25)4-8(23)5-12(14)33-19(20)7-1-2-9(24)11(3-7)36-37(30,31)32;/h1-5,13,15,17-18,21-26,28-29H,6H2,(H,30,31,32);/q;+1/p-1/t13-,15-,17+,18-,21+;/m1./s1
InChIKey SZTOYDFPTCKULE-NMPVGNQTSA-M
Literature Reference Author G.FLAMINI,E.ANTOGNOLI,I.MORELLI
Literature Reference Citation PHYTOCHEM.,57,559(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00066-8
Molecular Weight 566.423 g/mol
Solvent DMSO-D6
Source File Reference UWVN2277
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