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PROISOCRININ_C

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PROISOCRININ_C
SpectraBase Compound ID JkmBzpf4Qww
InChI InChI=1S/C20H17Br3O9S.Na/c1-3-4-8(32-33(28,29)30)5-7-6-9-10(18(26)13(7)21)17(25)12-11(16(9)24)14(22)19(27)15(23)20(12)31-2;/h6,8,26-27H,3-5H2,1-2H3,(H,28,29,30);/q;+1/p-1
InChIKey JDEOFIHFGLDLIY-UHFFFAOYSA-M
Mol Weight 695.1 g/mol
Molecular Formula C20H16Br3NaO9S
Exact Mass 691.796287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgvwQdsaMDW
Name PROISOCRININ_C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16Br3NaO9S
InChI InChI=1S/C20H17Br3O9S.Na/c1-3-4-8(32-33(28,29)30)5-7-6-9-10(18(26)13(7)21)17(25)12-11(16(9)24)14(22)19(27)15(23)20(12)31-2;/h6,8,26-27H,3-5H2,1-2H3,(H,28,29,30);/q;+1/p-1
InChIKey JDEOFIHFGLDLIY-UHFFFAOYSA-M
Literature Reference Author K.WOLKENSTEIN,W.SCHOEFBERGER,N.MUELLER,T.OJI
Literature Reference Citation J.NAT.PROD.,72,2036(2009)
Literature Reference DOI 10.1021/np900171h
Molecular Weight 695.103 g/mol
Sample ID 34127
Solvent D2O