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KLLOBSXORZCZRX-RQXXYQADSA-N

View entire compound with spectra: 1 NMR

KLLOBSXORZCZRX-RQXXYQADSA-N
SpectraBase Compound ID 7tr1hVMjrx1
InChI InChI=1S/C50H50O6/c1-5-17-51-27-35(53-19-7-3)29-55-49-45-41-25-43(39-23-33-15-11-9-13-31(33)21-37(39)41)47(45)50(56-30-36(54-20-8-4)28-52-18-6-2)48-44-26-42(46(48)49)38-22-32-14-10-12-16-34(32)24-40(38)44/h5-16,21-24,35-36,41-44H,1-4,17-20,25-30H2/t35?,36?,41-,42+,43+,44-
InChIKey KLLOBSXORZCZRX-RQXXYQADSA-N
Mol Weight 746.9 g/mol
Molecular Formula C50H50O6
Exact Mass 746.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ieh2pBcRl92
Name KLLOBSXORZCZRX-RQXXYQADSA-N
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H50O6
InChI InChI=1S/C50H50O6/c1-5-17-51-27-35(53-19-7-3)29-55-49-45-41-25-43(39-23-33-15-11-9-13-31(33)21-37(39)41)47(45)50(56-30-36(54-20-8-4)28-52-18-6-2)48-44-26-42(46(48)49)38-22-32-14-10-12-16-34(32)24-40(38)44/h5-16,21-24,35-36,41-44H,1-4,17-20,25-30H2/t35?,36?,41-,42+,43+,44-
InChIKey KLLOBSXORZCZRX-RQXXYQADSA-N
Literature Reference Author M.ZIERINGER,M.C.CARTAGENA,E.BURAKOESKA,J.TAKTIKOS,K.NEUTHE,H .BANDMANN
Literature Reference Citation EUR.J.ORG.CHEM.,2013,362(2013)
Literature Reference DOI 10.1002/ejoc.201200345
Molecular Weight 746.943 g/mol
Solvent CDCl3
Source File Reference UWBT20559