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THEOGRANDIN-II;HYPOLAETIN-8-O-BETA-D-GLUCURONOPYRANOSIDE-3''-O-SULFATE
SpectraBase Compound ID DEVIuuna4Yc
InChI InChI=1S/C21H18O16S/c22-7-2-1-6(3-8(7)23)12-5-10(25)13-9(24)4-11(26)16(17(13)34-12)35-21-15(28)18(37-38(31,32)33)14(27)19(36-21)20(29)30/h1-5,14-15,18-19,21-24,26-28H,(H,29,30)(H,31,32,33)/p-1/t14-,15+,18-,19-,21+/m1/s1
InChIKey ZRZNGKWFMIBYEF-ULTJTSLDSA-M
Mol Weight 557.41 g/mol
Molecular Formula C21H17O16S
Exact Mass 557.023731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ag3w7nMQkhi
Name THEOGRANDIN-II;HYPOLAETIN-8-O-BETA-D-GLUCURONOPYRANOSIDE-3''-O-SULFATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17O16S
InChI InChI=1S/C21H18O16S/c22-7-2-1-6(3-8(7)23)12-5-10(25)13-9(24)4-11(26)16(17(13)34-12)35-21-15(28)18(37-38(31,32)33)14(27)19(36-21)20(29)30/h1-5,14-15,18-19,21-24,26-28H,(H,29,30)(H,31,32,33)/p-1/t14-,15+,18-,19-,21+/m1/s1
InChIKey ZRZNGKWFMIBYEF-ULTJTSLDSA-M
Literature Reference Author H.YANG,P.PROTIVA,B.CUI,C.MA,S.BAGGETT,V.HEQUET,S.MORI,I.B.WE INSTEIN,E.J.KENNELLY
Literature Reference Citation J.NAT.PROD.,66,1501(2003)
Literature Reference DOI 10.1021/np034002j
Molecular Weight 557.416 g/mol
Solvent CD3OD
Source File Reference UWKP3114