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GRBQIGJPAGMJOD-ZBDJACQRSA-N

View entire compound with spectra: 1 NMR

GRBQIGJPAGMJOD-ZBDJACQRSA-N
SpectraBase Compound ID 6v9fO4GRWFq
InChI InChI=1S/C48H54O9/c1-5-19-52-45-31-41(33-49)47(54-21-7-3)29-39(45)15-11-35-9-13-37-17-18-38-14-10-36(28-44(38)57-26-24-51-23-25-56-43(37)27-35)12-16-40-30-48(55-22-8-4)42(34-50)32-46(40)53-20-6-2/h9-18,27-34H,5-8,19-26H2,1-4H3/b15-11+,16-12+,18-17+
InChIKey GRBQIGJPAGMJOD-ZBDJACQRSA-N
Mol Weight 775.0 g/mol
Molecular Formula C48H54O9
Exact Mass 774.376783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K85u2EjUNmO
Name GRBQIGJPAGMJOD-ZBDJACQRSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H54O9
InChI InChI=1S/C48H54O9/c1-5-19-52-45-31-41(33-49)47(54-21-7-3)29-39(45)15-11-35-9-13-37-17-18-38-14-10-36(28-44(38)57-26-24-51-23-25-56-43(37)27-35)12-16-40-30-48(55-22-8-4)42(34-50)32-46(40)53-20-6-2/h9-18,27-34H,5-8,19-26H2,1-4H3/b15-11+,16-12+,18-17+
InChIKey GRBQIGJPAGMJOD-ZBDJACQRSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 774.951 g/mol
Source File Reference MHKO20128