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(E,E)-BrIOMOPSAMMAPLIN
SpectraBase Compound ID Fx3LT9LVlWU
InChI InChI=1S/C22H23Br3N4O6S2/c23-14-7-12(1-2-19(14)30)10-17(28-34)21(32)26-3-5-36-37-6-4-27-22(33)18(29-35)11-13-8-15(24)20(31)16(25)9-13/h1-2,7-9,30-31,34-35H,3-6,10-11H2,(H,26,32)(H,27,33)/b28-17-,29-18-
InChIKey LGKOUMVCHLOVHD-SZVCAHDZSA-N
Mol Weight 743.28 g/mol
Molecular Formula C22H23Br3N4O6S2
Exact Mass 739.860916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzGbc5Q6xS
Name (E,E)-BrIOMOPSAMMAPLIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21Br3N4O6S2
InChI InChI=1S/C22H23Br3N4O6S2/c23-14-7-12(1-2-19(14)30)10-17(28-34)21(32)26-3-5-36-37-6-4-27-22(33)18(29-35)11-13-8-15(24)20(31)16(25)9-13/h1-2,7-9,30-31,34-35H,3-6,10-11H2,(H,26,32)(H,27,33)/b28-17-,29-18-
InChIKey LGKOUMVCHLOVHD-SZVCAHDZSA-N
Literature Reference Author Y.PARK,Y.LIU,J.HONG,C.O.LEE,H.CHO,D.K.KIM,K.S.IM,J.H.JUNG
Literature Reference Citation J.NAT.PROD.,66,1495(2003)
Literature Reference DOI 10.1021/np030162j
Molecular Weight 741.264 g/mol
Solvent CD3OD
Source File Reference UWKP3107