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#4B;5,8,13,16,29,32,37,40-OCTAMETHYL-2,19,26,43-TETRAOXO-3,7,14,18,27,31,38,42,50,53,56,59-DODECAOXANONA-CYCLO-[42.4.2-(5,8).2-(9,12).2-(13,16).2-(29,32).2-(33
SpectraBase Compound ID H8bNqlwOiIf
InChI InChI=1S/C56H64O16/c1-49-25-61-45(57)41-13-9-10-14-42(41)46(58)62-26-50(2)31-69-55(7,70-32-50)39-21-23-40(24-22-39)56(8)71-35-52(4,36-72-56)28-64-48(60)44-16-12-11-15-43(44)47(59)63-27-51(3)33-67-54(6,68-34-51)38-19-17-37(18-20-38)53(5,65-29-49)66-30-49/h9-24H,25-36H2,1-8H3/t49-,50-,51-,52-,53+,54+,55+,56+
InChIKey QDCGOBQBTDIVPG-QQJNBRJNSA-N
Mol Weight 993.1 g/mol
Molecular Formula C56H64O16
Exact Mass 992.419436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wgD6lNHLXd
Name #4B;5,8,13,16,29,32,37,40-OCTAMETHYL-2,19,26,43-TETRAOXO-3,7,14,18,27,31,38,42,50,53,56,59-DODECAOXANONA-CYCLO-[42.4.2-(5,8).2-(9,12).2-(13,16).2-(29,32).2-(33
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H64O16
InChI InChI=1S/C56H64O16/c1-49-25-61-45(57)41-13-9-10-14-42(41)46(58)62-26-50(2)31-69-55(7,70-32-50)39-21-23-40(24-22-39)56(8)71-35-52(4,36-72-56)28-64-48(60)44-16-12-11-15-43(44)47(59)63-27-51(3)33-67-54(6,68-34-51)38-19-17-37(18-20-38)53(5,65-29-49)66-30-49/h9-24H,25-36H2,1-8H3/t49-,50-,51-,52-,53+,54+,55+,56+
InChIKey QDCGOBQBTDIVPG-QQJNBRJNSA-N
Literature Reference Author M.BALOG,I.GROSU,G.PLE,Y.RAMONDENC,E.CONDAMINE,R.A.VARGA
Literature Reference Citation J.ORG.CHEM.,69,1337(2004)
Literature Reference DOI 10.1021/jo0353987
Molecular Weight 993.115 g/mol
Solvent CDCl3
Source File Reference UWVN21630