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(12,12'-(C-13))-ASTAXANTHIN
SpectraBase Compound ID 738I7DunHAQ
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+/i17+1,18+1
InChIKey MQZIGYBFDRPAKN-NIMZNIIUSA-N
Mol Weight 598.8 g/mol
Molecular Formula C3813C2H52O4
Exact Mass 598.39327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60fyiLOeb9S
Name (12,12'-(C-13))-ASTAXANTHIN
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/i17+1,18+1
InChIKey MQZIGYBFDRPAKN-NIMZNIIUSA-N
Literature Reference Author F.J.H.M.JANSEN,M.KWESTRO,D.SCHMITT,J.LUGTENBURG
Literature Reference Citation REC.TR.CH.P.-B.,113,552(1994)
Literature Reference DOI 10.1002/recl.19941131205
Molecular Weight 596.850 g/mol
Solvent CDCl3
Source File Reference UWCH143