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BASTADIN_3

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BASTADIN_3
SpectraBase Compound ID 3wlgtgsau9c
InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,43-46,49-50H,5-8,15-16H2,(H,39,47)(H,40,48)/b41-27+,42-28+
InChIKey XEGSWNKCRGYRFG-CTQPMARESA-N
Mol Weight 942.2 g/mol
Molecular Formula C34H30Br4N4O8
Exact Mass 937.879716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhHLM6ajXhI
Name BASTADIN_3
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H28Br4N4O8
InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,43-46,49-50H,5-8,15-16H2,(H,39,47)(H,40,48)/b41-27+,42-28+
InChIKey XEGSWNKCRGYRFG-CTQPMARESA-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 940.234 g/mol
Sample ID 35065
Solvent DMSO-D6