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(E,Z)-BASTADIN_19
SpectraBase Compound ID 2RXG6zopWm3
InChI InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,46)(H,41,47)/b42-25-,43-26+
InChIKey AHBBQQLIUBAPCY-HQTCRMEMSA-N
Mol Weight 1019.1 g/mol
Molecular Formula C34H27Br5N4O8
Exact Mass 1013.774579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWlPxMM6inF
Name (E,Z)-BASTADIN_19
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H25Br5N4O8
InChI InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,44-45,48-49H,3-6,12-13H2,(H,40,46)(H,41,47)/b42-25-,43-26+
InChIKey AHBBQQLIUBAPCY-HQTCRMEMSA-N
Literature Reference Author L.CALCUL,W.D.INMAN,A.A.MORRIS,K.TENNEY,J.RATNAM,J.H.MCKERROW ,F.A.VALERIOTE,P.CRE
Literature Reference Citation J.NAT.PROD.,73,365(2010)
Literature Reference DOI 10.1021/np9005986
Molecular Weight 1017.114 g/mol
Sample ID 35062
Solvent DMSO-D6