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PROISOCRININ_E

View entire compound with spectra: 1 NMR

PROISOCRININ_E
SpectraBase Compound ID 7Dhk4vPnj6p
InChI InChI=1S/C18H13Br3O9S.Na/c1-5(30-31(26,27)28)3-6-4-7(22)8-9(12(6)19)16(24)10-11(15(8)23)18(29-2)14(21)17(25)13(10)20;/h4-5,22,25H,3H2,1-2H3,(H,26,27,28);/q;+1/p-1
InChIKey GFGGQPFWYIJSKP-UHFFFAOYSA-M
Mol Weight 667.05 g/mol
Molecular Formula C18H12Br3NaO9S
Exact Mass 663.764986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MGdDXcyW4Q
Name PROISOCRININ_E
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12Br3NaO9S
InChI InChI=1S/C18H13Br3O9S.Na/c1-5(30-31(26,27)28)3-6-4-7(22)8-9(12(6)19)16(24)10-11(15(8)23)18(29-2)14(21)17(25)13(10)20;/h4-5,22,25H,3H2,1-2H3,(H,26,27,28);/q;+1/p-1
InChIKey GFGGQPFWYIJSKP-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 667.050 g/mol
Sample ID 34129
Solvent D2O