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2-[N,N-DI-(2-HYDROXYETHYL)-AMINO]-ETHYL-BETA-APO-8'-CAROTENOATE
SpectraBase Compound ID C4auj95S8hm
InChI InChI=1S/C36H53NO4/c1-29(15-10-16-31(3)20-21-34-32(4)19-12-22-36(34,6)7)13-8-9-14-30(2)17-11-18-33(5)35(40)41-28-25-37(23-26-38)24-27-39/h8-11,13-18,20-21,38-39H,12,19,22-28H2,1-7H3/b9-8+,15-10+,17-11+,21-20+,29-13+,30-14+,31-16+,33-18+
InChIKey SDJKHQYGTMNNRR-VDGCPBOPSA-N
Mol Weight 563.8 g/mol
Molecular Formula C36H53NO4
Exact Mass 563.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAkmp6Fs9Iy
Name 2-[N,N-DI-(2-HYDROXYETHYL)-AMINO]-ETHYL-BETA-APO-8'-CAROTENOATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H53NO4
InChI InChI=1S/C36H53NO4/c1-29(15-10-16-31(3)20-21-34-32(4)19-12-22-36(34,6)7)13-8-9-14-30(2)17-11-18-33(5)35(40)41-28-25-37(23-26-38)24-27-39/h8-11,13-18,20-21,38-39H,12,19,22-28H2,1-7H3/b9-8+,15-10+,17-11+,21-20+,29-13+,30-14+,31-16+,33-18+
InChIKey SDJKHQYGTMNNRR-VDGCPBOPSA-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 563.821 g/mol
Sample ID 1653
Solvent CDCl3