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4,4'-Dioxo-3,3'-dihydroxy-15-cis.beta.-carotene

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4,4'-Dioxo-3,3'-dihydroxy-15-cis.beta.-carotene
SpectraBase Compound ID KQ8Vqxg2QVN
InChI InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKey MQZIGYBFDRPAKN-GNLRNFRASA-N
Mol Weight 596.9 g/mol
Molecular Formula C40H52O4
Exact Mass 596.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1itOPGgPto8
Name 4,4'-Dioxo-3,3'-dihydroxy-15-cis.beta.-carotene
CAS Registry Number 64838-38-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H52O4
InChI InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKey MQZIGYBFDRPAKN-GNLRNFRASA-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