| SpectraBase Compound ID | F57aUCtn1Wf |
|---|---|
| InChI | InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-32(6)38(44)36(42)26-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-31(5)35(41)25-37(43)40(34,9)10/h11-24,36-37,42-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | RAWKXKPJGBUIEG-QISQUURKSA-N |
| Mol Weight | 596.9 g/mol |
| Molecular Formula | C40H52O4 |
| Exact Mass | 596.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LnO5wwM3ne5 |
|---|---|
| Name | 2,3'-DIHYDROXY-BETA,BETA-CAROTENE-4,4'-DIONE;2,3'-DIHYDROXY-CANTHAXANTHIN |
| Compound Number | 1 |
| 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)21-23-33-32(6)38(44)36(42)26-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-31(5)35(41)25-37(43)40(34,9)10/h11-24,36-37,42-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | RAWKXKPJGBUIEG-QISQUURKSA-N |
| Literature Reference Author | T.MAOKA,N.AKIMOTO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1462(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1462 |
| Molecular Weight | 596.850 g/mol |
| Sample ID | 55295 |
| Solvent | CDCl3 |