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2-[N-(2-HYDROXYETHYL)-N-METHYL-AMINO]-ETHYL-BETA-APO-8'-CAROTENOATE
SpectraBase Compound ID 4cEdstNGNbT
InChI InChI=1S/C35H51NO3/c1-28(16-11-17-30(3)21-22-33-31(4)20-13-23-35(33,6)7)14-9-10-15-29(2)18-12-19-32(5)34(38)39-27-25-36(8)24-26-37/h9-12,14-19,21-22,37H,13,20,23-27H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,28-14+,29-15+,30-17+,32-19+
InChIKey WSXIAOPWFPHKGA-YETWFHRTSA-N
Mol Weight 533.8 g/mol
Molecular Formula C35H51NO3
Exact Mass 533.386895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87foiftF3Fr
Name 2-[N-(2-HYDROXYETHYL)-N-METHYL-AMINO]-ETHYL-BETA-APO-8'-CAROTENOATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H51NO3
InChI InChI=1S/C35H51NO3/c1-28(16-11-17-30(3)21-22-33-31(4)20-13-23-35(33,6)7)14-9-10-15-29(2)18-12-19-32(5)34(38)39-27-25-36(8)24-26-37/h9-12,14-19,21-22,37H,13,20,23-27H2,1-8H3/b10-9+,16-11+,18-12+,22-21+,28-14+,29-15+,30-17+,32-19+
InChIKey WSXIAOPWFPHKGA-YETWFHRTSA-N
Literature Reference Author M.D.PUNGENTE,E.JUBELI,C.L.OPSTAD,M.A.KAWAZ,N.BARAKAT,T.IBRAH IM,N.A.KHALIQUE,L.RA
Literature Reference Citation MOLECULES,17,3484(2012)
Literature Reference DOI 10.3390/molecules17033484
Molecular Weight 533.795 g/mol
Sample ID 1651
Solvent CDCl3