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3,5-DINITROBENZYL-(-)-ENT-16-OXO-BEYERAN-19-OATE
SpectraBase Compound ID FPAE3LNzIU
InChI InChI=1S/C27H34N2O7/c1-24-9-5-21-25(2)7-4-8-26(3,20(25)6-10-27(21,16-24)14-22(24)30)23(31)36-15-17-11-18(28(32)33)13-19(12-17)29(34)35/h11-13,20-21H,4-10,14-16H2,1-3H3/t20-,21-,24-,25+,26+,27-/m0/s1
InChIKey PRPGBYSODDBWJE-FIVJYGDRSA-N
Mol Weight 498.6 g/mol
Molecular Formula C27H34N2O7
Exact Mass 498.236601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3szw0goI6Ux
Name 3,5-DINITROBENZYL-(-)-ENT-16-OXO-BEYERAN-19-OATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34N2O7
InChI InChI=1S/C27H34N2O7/c1-24-9-5-21-25(2)7-4-8-26(3,20(25)6-10-27(21,16-24)14-22(24)30)23(31)36-15-17-11-18(28(32)33)13-19(12-17)29(34)35/h11-13,20-21H,4-10,14-16H2,1-3H3/t20-,21-,24-,25+,26+,27-/m0/s1
InChIKey PRPGBYSODDBWJE-FIVJYGDRSA-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 498.576 g/mol
Solvent CDCl3
Source File Reference UWLU77920