| SpectraBase Compound ID | AXcdiuCP2rr |
|---|---|
| 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+/i27+1,28+1 |
| InChIKey | MQZIGYBFDRPAKN-MPGBOSJESA-N |
| Mol Weight | 598.8 g/mol |
| Molecular Formula | C3813C2H52O4 |
| Exact Mass | 598.39327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rQmUNMlgzY |
|---|---|
| Name | (13,13'-(C-13))-ASTAXANTHIN |
| Compound Number | 1D |
| 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+/i27+1,28+1 |
| InChIKey | MQZIGYBFDRPAKN-MPGBOSJESA-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 | UWCH144 |