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BASTADIN_24
SpectraBase Compound ID JfuV5dlzrBl
InChI InChI=1S/C34H26Br6N4O9/c35-18-5-15-2-4-42-34(49)27(44-51)28(45)17-12-22(39)32(23(40)13-17)53-26-11-16(8-19(36)30(26)47)9-24(43-50)33(48)41-3-1-14-6-20(37)31(21(38)7-14)52-25(10-15)29(18)46/h5-8,10-13,28,45-47,50-51H,1-4,9H2,(H,41,48)(H,42,49)/b43-24-,44-27-
InChIKey MHAGECXZXFMEGD-WTVVHIDGSA-N
Mol Weight 1114.0 g/mol
Molecular Formula C34H26Br6N4O9
Exact Mass 1107.680006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EE3OOcfdWkH
Name BASTADIN_24
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H24Br6N4O9
InChI InChI=1S/C34H26Br6N4O9/c35-18-5-15-2-4-42-34(49)27(44-51)28(45)17-12-22(39)32(23(40)13-17)53-26-11-16(8-19(36)30(26)47)9-24(43-50)33(48)41-3-1-14-6-20(37)31(21(38)7-14)52-25(10-15)29(18)46/h5-8,10-13,28,45-47,50-51H,1-4,9H2,(H,41,48)(H,42,49)/b43-24-,44-27-
InChIKey MHAGECXZXFMEGD-WTVVHIDGSA-N
Literature Reference Author H.GREVE,S.KEHRAUS,A.KRICK,G.KELTER,A.MAIER,H.H.FIEBIG,A.D.WR IGHT,G.M.KOENIG
Literature Reference Citation J.NAT.PROD.,71,309(2008)
Literature Reference DOI 10.1021/np070373e
Molecular Weight 1112.010 g/mol
Sample ID 27478
Solvent CD3CN