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DIOXEPINE_BASTADIN_3

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DIOXEPINE_BASTADIN_3
SpectraBase Compound ID LdQWvJwj7ws
InChI InChI=1S/C35H30Br4N4O8/c36-24-11-18(1-3-30(24)44)5-7-40-34(46)28(42-48)15-20-9-22-23-10-21(14-27(39)33(23)51-17-50-32(22)26(38)13-20)16-29(43-49)35(47)41-8-6-19-2-4-31(45)25(37)12-19/h1-4,9-14,44-45,48-49H,5-8,15-17H2,(H,40,46)(H,41,47)/b42-28+,43-29+
InChIKey FXYOIMVXBIASOU-BITFRASFSA-N
Mol Weight 954.3 g/mol
Molecular Formula C35H30Br4N4O8
Exact Mass 949.879716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnGeROcB8PY
Name DIOXEPINE_BASTADIN_3
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H28Br4N4O8
InChI InChI=1S/C35H30Br4N4O8/c36-24-11-18(1-3-30(24)44)5-7-40-34(46)28(42-48)15-20-9-22-23-10-21(14-27(39)33(23)51-17-50-32(22)26(38)13-20)16-29(43-49)35(47)41-8-6-19-2-4-31(45)25(37)12-19/h1-4,9-14,44-45,48-49H,5-8,15-17H2,(H,40,46)(H,41,47)/b42-28+,43-29+
InChIKey FXYOIMVXBIASOU-BITFRASFSA-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 952.245 g/mol
Sample ID 35066
Solvent DMSO-D6