Wiley SpectraBase; SpectraBase Compound ID=xQkSLE3kv SpectraBase Spectrum ID=Epc9l5CkoL6
http://spectrabase.com/spectrum/Epc9l5CkoL6 (accessed Oct 01, 2020).

DEVRTHPBCGDWPI-RYJWMXFHSA-N
SpectraBase Compound ID xQkSLE3kv
InChI InChI=1S/C44H44N2O6/c1-23(2)33-29-17-25(5)35(42(50)37(29)31(40(48)43(33)51)21-45-19-27-13-9-7-10-14-27)30-18-26(6)36-34(24(3)4)44(52)41(49)32(38(36)39(30)47)22-46-20-28-15-11-8-12-16-28/h7-18,21-24,45-47,50-52H,19-20H2,1-6H3/b31-21-,32-22-
InChIKey DEVRTHPBCGDWPI-RYJWMXFHSA-N
Mol Weight 696.8 g/mol
Molecular Formula C44H44N2O6
Exact Mass 696.319937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Epc9l5CkoL6
SpectraBase Batch ID 6wutHEItepe
Name DEVRTHPBCGDWPI-RYJWMXFHSA-N
Compound Number 1
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H44N2O6
InChI InChI=1S/C44H44N2O6/c1-23(2)33-29-17-25(5)35(42(50)37(29)31(40(48)43(33)51)21-45-19-27-13-9-7-10-14-27)30-18-26(6)36-34(24(3)4)44(52)41(49)32(38(36)39(30)47)22-46-20-28-15-11-8-12-16-28/h7-18,21-24,45-47,50-52H,19-20H2,1-6H3/b31-21-,32-22-
InChIKey DEVRTHPBCGDWPI-RYJWMXFHSA-N
Literature Reference Author Q.T.THAT,K.P.P.NGUYEN,P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,43,302(2005)
Literature Reference DOI 10.1002/mrc.1532
Molecular Weight 696.843 g/mol
Solvent CDCl3
Source File Reference UWSI26045
SpectraBase Compound ID xQkSLE3kv