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3,5-DINITROBENZYL-(-)-ENT-15,16-DIOXO-BEYERAN-19-OATE
SpectraBase Compound ID 6IbCZ0Udl70
InChI InChI=1S/C27H32N2O8/c1-24-9-5-20-25(2)7-4-8-26(3,19(25)6-10-27(20,15-24)22(31)21(24)30)23(32)37-14-16-11-17(28(33)34)13-18(12-16)29(35)36/h11-13,19-20H,4-10,14-15H2,1-3H3/t19-,20-,24-,25+,26+,27-/m0/s1
InChIKey MJLKYANDURVYFB-XIKPILRDSA-N
Mol Weight 512.6 g/mol
Molecular Formula C27H32N2O8
Exact Mass 512.215866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVXBxPx36xp
Name 3,5-DINITROBENZYL-(-)-ENT-15,16-DIOXO-BEYERAN-19-OATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N2O8
InChI InChI=1S/C27H32N2O8/c1-24-9-5-20-25(2)7-4-8-26(3,19(25)6-10-27(20,15-24)22(31)21(24)30)23(32)37-14-16-11-17(28(33)34)13-18(12-16)29(35)36/h11-13,19-20H,4-10,14-15H2,1-3H3/t19-,20-,24-,25+,26+,27-/m0/s1
InChIKey MJLKYANDURVYFB-XIKPILRDSA-N
Literature Reference Author C.LOHOELTER,M.BRUTSCHY,D.LUBCZYK,S.R.WALDVOGEL
Literature Reference Citation BEIL.J.ORG.CHEM.,9,2821(2013)
Literature Reference DOI 10.3762/bjoc.9.317
Molecular Weight 512.560 g/mol
Solvent CDCl3
Source File Reference UWLU77921