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(3S,4R,3'S,4'R)-CRUSTAXANTHIN;(3S,4R,3'S,4'R)-BETA,BETA-CAROTIN-3,4,3',4'-TETROL

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(3S,4R,3'S,4'R)-CRUSTAXANTHIN;(3S,4R,3'S,4'R)-BETA,BETA-CAROTIN-3,4,3',4'-TETROL
SpectraBase Compound ID 3XmLQoOeqxr
InChI InChI=1S/C40H56O4/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/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+,38+/m1/s1
InChIKey BHCRLQHBUDRLQM-HWFHZMFDSA-N
Mol Weight 600.9 g/mol
Molecular Formula C40H56O4
Exact Mass 600.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wI550nmjUs
Name (3S,4R,3'S,4'R)-CRUSTAXANTHIN;(3S,4R,3'S,4'R)-BETA,BETA-CAROTIN-3,4,3',4'-TETROL
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H56O4
InChI InChI=1S/C40H56O4/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/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+,38+/m1/s1
InChIKey BHCRLQHBUDRLQM-HWFHZMFDSA-N
Literature Reference Author D.J.BUSCHOR,C.H.EUGSTER
Literature Reference Citation HELV.CHIM.ACTA,73,1002(1990)
Literature Reference DOI 10.1002/hlca.19900730426
Molecular Weight 600.882 g/mol
Solvent DMSO-D6
Source File Reference UWCS12570