| SpectraBase Compound ID | 3D5VL61KnsO |
|---|---|
| InChI | InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19-,32-20+/t34-,35+,39+,40+/m1/s1 |
| InChIKey | DJOWTWWHMWQATC-AYHBISPPSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C40H58O4 |
| Exact Mass | 602.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3jQJzfdELBW |
|---|---|
| Name | (9'Z)-Diepikarpoxanthin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 602.433510344 u |
| Formula | C40H58O4 |
| InChI | InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19-,32-20+/t34-,35+,39+,40+/m1/s1 |
| InChIKey | DJOWTWWHMWQATC-AYHBISPPSA-N |
| Molecular Weight | 602.900 g/mol |
| SMILES | [C@]1([C@](C[C@](CC1(C)C)(O)[H])(O)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)O |