| SpectraBase Compound ID | 6YMThsyPk6l |
|---|---|
| InChI | InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-/m1/s1 |
| InChIKey | YECXHLPYMXGEBI-NYTPWFNKSA-N |
| Mol Weight | 582.9 g/mol |
| Molecular Formula | C40H54O3 |
| Exact Mass | 582.407296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHT5LQlzZr |
|---|---|
| Name | 4-Ketozeaxanthin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 582.407295596 u |
| Formula | C40H54O3 |
| InChI | InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-/m1/s1 |
| InChIKey | YECXHLPYMXGEBI-NYTPWFNKSA-N |
| Molecular Weight | 582.869 g/mol |
| SMILES | C1(=C(C(=O)[C@@](CC1(C)C)(O)[H])C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C[C@](CC1(C)C)(O)[H])C)C)C)C)C |