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SIMQNIGVACBPCA-AWSDQIGSSA-N

View entire compound with spectra: 1 NMR

SIMQNIGVACBPCA-AWSDQIGSSA-N
SpectraBase Compound ID LBX0Al4ffCI
InChI InChI=1S/2C23H24N2O4/c2*1-15-14-24-20(26)18(28-2)22(24,16-10-6-4-7-11-16)23(17-12-8-5-9-13-17)19(29-3)21(27)25(15)23/h2*4-13,15,18-19H,14H2,1-3H3/t2*15?,18-,19-,22-,23-/m11/s1
InChIKey SIMQNIGVACBPCA-AWSDQIGSSA-N
Mol Weight 784.91 g/mol
Molecular Formula C46H48N4O8
Exact Mass 784.347215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2qYuk8u1Ncg
Name SIMQNIGVACBPCA-AWSDQIGSSA-N
Compound Number 4BA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H48N4O8
InChI InChI=1S/2C23H24N2O4/c2*1-15-14-24-20(26)18(28-2)22(24,16-10-6-4-7-11-16)23(17-12-8-5-9-13-17)19(29-3)21(27)25(15)23/h2*4-13,15,18-19H,14H2,1-3H3/t2*15?,18-,19-,22-,23-/m11/s1
InChIKey SIMQNIGVACBPCA-AWSDQIGSSA-N
Literature Reference Author K.NAKAHARA,K.YAMAGUCHI,Y.YOSHITAKE,T.YAMAGUCHI,K.HARANO
Literature Reference Citation CHEM.PHARM.BULL.,57,846(2009)
Literature Reference DOI 10.1248/cpb.57.846
Molecular Weight 784.909 g/mol
Sample ID 3257
Solvent CDCl3