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OBELRGDWXTUWEA-PJQROKOUSA-N

View entire compound with spectra: 4 NMR

OBELRGDWXTUWEA-PJQROKOUSA-N
SpectraBase Compound ID IsRo1RQOFdE
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-22,33-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+
InChIKey OBELRGDWXTUWEA-PJQROKOUSA-N
Mol Weight 568.9 g/mol
Molecular Formula C40H56O2
Exact Mass 568.428031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9iX49Xy6M4O
Name cis-3,3'-Dihydroxy-5,5'-dihydro-7,7'-didehydro.beta.-carotene
CAS Registry Number 58580-29-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H56O2
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-22,33-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+
InChIKey OBELRGDWXTUWEA-PJQROKOUSA-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