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4-E-RUBOLIDE_O;MINOR_ISOMER
SpectraBase Compound ID E24Z6y1n2AL
InChI InChI=1S/C17H8Br3ClO4/c18-9-3-7(1-2-12(9)22)4-13-14(15(21)17(24)25-13)8-5-10(19)16(23)11(20)6-8/h1-6,22-23H/b13-4+
InChIKey OKRJRNSNPBGFSG-YIXHJXPBSA-N
Mol Weight 551.41 g/mol
Molecular Formula C17H8Br3ClO4
Exact Mass 547.766125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8nXU04N7OS7
Name 4-E-RUBOLIDE_O;MINOR_ISOMER
Compound Number 4-E-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H8Br3ClO4
InChI InChI=1S/C17H8Br3ClO4/c18-9-3-7(1-2-12(9)22)4-13-14(15(21)17(24)25-13)8-5-10(19)16(23)11(20)6-8/h1-6,22-23H/b13-4+
InChIKey OKRJRNSNPBGFSG-YIXHJXPBSA-N
Literature Reference Author A.N.PEARCE,E.W.CHIA,M.V.BERRIDGE,E.W.MAAS,M.J.PAGE,V.L.WEBB, J.L.HARPER,B.R.COPP
Literature Reference Citation J.NAT.PROD.,70,111(2007)
Literature Reference DOI 10.1021/np060188l
Molecular Weight 551.413 g/mol
Sample ID 29539
Solvent ACETONE-D6