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2-[(1E,3E,5E,7E)-9-hydroxy-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-4-keto-1,3-dimethyl-cyclohex-2-ene-1-carboxylic acid ethyl ester

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2-[(1E,3E,5E,7E)-9-hydroxy-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-4-keto-1,3-dimethyl-cyclohex-2-ene-1-carboxylic acid ethyl ester
SpectraBase Compound ID JKKTtdvxhNL
InChI InChI=1S/C22H30O4/c1-6-26-21(25)22(5)14-12-20(24)18(4)19(22)11-10-16(2)8-7-9-17(3)13-15-23/h7-11,13,23H,6,12,14-15H2,1-5H3/b9-7+,11-10+,16-8+,17-13+
InChIKey YDPIYEXHOVPRLD-BRMLSVPOSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eIGQKAcd1q
Name 4-Oxo-1-carboxyethyl-1-desmethyl-vitamin A
CAS Registry Number 58508-37-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-6-26-21(25)22(5)14-12-20(24)18(4)19(22)11-10-16(2)8-7-9-17(3)13-15-23/h7-11,13,23H,6,12,14-15H2,1-5H3/b9-7+,11-10+,16-8+,17-13+
InChIKey YDPIYEXHOVPRLD-BRMLSVPOSA-N
Instrument Name Bruker HX-90
Literature Reference G. Englert, Helv. Chim. Acta 58, 2367 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3