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Bastadin-12 Methyl Ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Bastadin-12 Methyl Ester
SpectraBase Compound ID HyjmgfQnZOW
InChI InChI=1S/C38H36Br4N4O8/c1-49-32-8-6-22-10-12-44-38(48)30(46-52-4)18-24-16-28(42)36(50-2)34(20-24)54-35-26(40)14-23(15-27(35)41)17-29(45-51-3)37(47)43-11-9-21-5-7-31(25(39)13-21)53-33(32)19-22/h5-8,13-16,19-20H,9-12,17-18H2,1-4H3,(H,43,47)(H,44,48)/b45-29+,46-30+
InChIKey HSRKRNOBWBHQGY-PGZMIIDGSA-N
Mol Weight 996.3 g/mol
Molecular Formula C38H36Br4N4O8
Exact Mass 991.926666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZz8ct821QU
Name BASTADIN-12-METHYLESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H36Br4N4O8
InChI InChI=1S/C38H36Br4N4O8/c1-49-32-8-6-22-10-12-44-38(48)30(46-52-4)18-24-16-28(42)36(50-2)34(20-24)54-35-26(40)14-23(15-27(35)41)17-29(45-51-3)37(47)43-11-9-21-5-7-31(25(39)13-21)53-33(32)19-22/h5-8,13-16,19-20H,9-12,17-18H2,1-4H3,(H,43,47)(H,44,48)/b45-29+,46-30+
InChIKey HSRKRNOBWBHQGY-PGZMIIDGSA-N
Literature Reference Author M.S.BUTLER,T.K.LIM,R.J.CAPON,L.S.HAMMOND
Literature Reference Citation AUSTR.J.CHEM.,44,287(1991)
Literature Reference DOI 10.1071/ch9910287
Molecular Weight 996.342 g/mol
Solvent CDCl3
Source File Reference UWED16840