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SYNECHOXANTHIN_DIMETHYLESTER;(ALL-E)-DIMETHYL_KHI,KHI-CAROTEN-18,18'-DIOATE

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SYNECHOXANTHIN_DIMETHYLESTER;(ALL-E)-DIMETHYL_KHI,KHI-CAROTEN-18,18'-DIOATE
SpectraBase Compound ID 9v3H4sdZ4zB
InChI InChI=1S/C42H48O4/c1-29(17-13-19-31(3)21-23-37-25-27-39(41(43)45-9)35(7)33(37)5)15-11-12-16-30(2)18-14-20-32(4)22-24-38-26-28-40(42(44)46-10)36(8)34(38)6/h11-28H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey YJMYNQJWHFMPKD-DKLMTRRASA-N
Mol Weight 616.8 g/mol
Molecular Formula C42H48O4
Exact Mass 616.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vCPA92PSwW
Name SYNECHOXANTHIN_DIMETHYLESTER;(ALL-E)-DIMETHYL_KHI,KHI-CAROTEN-18,18'-DIOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48O4
InChI InChI=1S/C42H48O4/c1-29(17-13-19-31(3)21-23-37-25-27-39(41(43)45-9)35(7)33(37)5)15-11-12-16-30(2)18-14-20-32(4)22-24-38-26-28-40(42(44)46-10)36(8)34(38)6/h11-28H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey YJMYNQJWHFMPKD-DKLMTRRASA-N
Literature Reference Author J.E.GRAHAM,J.T.L.LECOMTE,D.A.BRYANT
Literature Reference Citation J.NAT.PROD.,71,1647(2008)
Literature Reference DOI 10.1021/np800310b
Molecular Weight 616.841 g/mol
Sample ID 29089
Solvent CD2Cl2