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PRECHAFUROSIDE-A;ISOVITEXIN-2''-O-SULFATE

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PRECHAFUROSIDE-A;ISOVITEXIN-2''-O-SULFATE
SpectraBase Compound ID BHRCPmlFq2K
InChI InChI=1S/C21H20O13S/c22-7-14-17(26)19(28)21(34-35(29,30)31)20(33-14)16-11(25)6-13-15(18(16)27)10(24)5-12(32-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-28H,7H2,(H,29,30,31)/t14-,17-,19+,20+,21-/m1/s1
InChIKey BQEMYRDVBBRALV-STSJCENXSA-N
Mol Weight 512.44 g/mol
Molecular Formula C21H20O13S
Exact Mass 512.062462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mgNB2dpbeF
Name PRECHAFUROSIDE-A;ISOVITEXIN-2''-O-SULFATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O13S
InChI InChI=1S/C21H20O13S/c22-7-14-17(26)19(28)21(34-35(29,30)31)20(33-14)16-11(25)6-13-15(18(16)27)10(24)5-12(32-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-28H,7H2,(H,29,30,31)/t14-,17-,19+,20+,21-/m1/s1
InChIKey BQEMYRDVBBRALV-STSJCENXSA-N
Literature Reference Author H.ISHIDA,T.WAKIMOTO,Y.KITAO,S.TANAKA,T.MIYASE,H.NUKAYA
Literature Reference Citation J.AGR.FOOD.CHEM.,57,6779(2009)
Literature Reference DOI 10.1021/jf900032z
Molecular Weight 512.442 g/mol
Sample ID 68086
Solvent DMSO-D6