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BXRNLFPLYCUBDX-UUGSKBNGSA-N

View entire compound with spectra: 1 NMR

BXRNLFPLYCUBDX-UUGSKBNGSA-N
SpectraBase Compound ID 9fh6FmYZ3zI
InChI InChI=1S/C54H54O10/c1-3-21-59-53-35-48(16-8-40-6-12-44-18-20-46-14-10-42(38-56)34-52(46)64-30-26-58-24-28-62-50(44)32-40)54(60-22-4-2)36-47(53)15-7-39-5-11-43-17-19-45-13-9-41(37-55)33-51(45)63-29-25-57-23-27-61-49(43)31-39/h5-20,31-38H,3-4,21-30H2,1-2H3/b15-7+,16-8+,19-17+,20-18+
InChIKey BXRNLFPLYCUBDX-UUGSKBNGSA-N
Mol Weight 863.0 g/mol
Molecular Formula C54H54O10
Exact Mass 862.371698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhnNCyOvUZS
Name BXRNLFPLYCUBDX-UUGSKBNGSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H54O10
InChI InChI=1S/C54H54O10/c1-3-21-59-53-35-48(16-8-40-6-12-44-18-20-46-14-10-42(38-56)34-52(46)64-30-26-58-24-28-62-50(44)32-40)54(60-22-4-2)36-47(53)15-7-39-5-11-43-17-19-45-13-9-41(37-55)33-51(45)63-29-25-57-23-27-61-49(43)31-39/h5-20,31-38H,3-4,21-30H2,1-2H3/b15-7+,16-8+,19-17+,20-18+
InChIKey BXRNLFPLYCUBDX-UUGSKBNGSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 863.017 g/mol
Source File Reference MHKO20101