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4,4'-Dioxo-3,3'-diacetoxy.beta.-carotene

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4,4'-Dioxo-3,3'-diacetoxy.beta.-carotene
SpectraBase Compound ID Hx33AsDiaia
InChI InChI=1S/C44H56O6/c1-29(19-15-21-31(3)23-25-37-33(5)41(47)39(49-35(7)45)27-43(37,9)10)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(48)40(50-36(8)46)28-44(38,11)12/h13-26,39-40H,27-28H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+
InChIKey HDLNSTQYXPTXMC-QQXHRLQXSA-N
Mol Weight 680.9 g/mol
Molecular Formula C44H56O6
Exact Mass 680.40769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ag1LKfq0xR2
Name 4,4'-Dioxo-3,3'-diacetoxy.beta.-carotene
CAS Registry Number 25494-88-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H56O6
InChI InChI=1S/C44H56O6/c1-29(19-15-21-31(3)23-25-37-33(5)41(47)39(49-35(7)45)27-43(37,9)10)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(48)40(50-36(8)46)28-44(38,11)12/h13-26,39-40H,27-28H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+
InChIKey HDLNSTQYXPTXMC-QQXHRLQXSA-N
Instrument Name Bruker HX-90
Literature Reference G. Englert, F. Kienzle, K. Noak, Helv. Chim. Acta 60, 1209 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3