| SpectraBase Compound ID | 4rIbKxVgpB1 |
|---|---|
| InChI | InChI=1S/C40H56O4/c1-29(19-13-21-31(3)33(41)27-35(43)39(9)25-15-23-37(39,5)6)17-11-12-18-30(2)20-14-22-32(4)34(42)28-36(44)40(10)26-16-24-38(40,7)8/h11-14,17-22,27-28,41-42H,15-16,23-26H2,1-10H3/b12-11+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,33-27-,34-28-/t39-,40-/m0/s1 |
| InChIKey | BEWHEIMKFQFPOP-AGWXTOEASA-N |
| Mol Weight | 600.9 g/mol |
| Molecular Formula | C40H56O4 |
| Exact Mass | 600.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8J7TyxMGp9J |
|---|---|
| Name | .Kappa.,.kappa.-carotene-6,6'-dione, 8,8'-dihydroxy-, (5R,5'R)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 600.417860279 u |
| Formula | C40H56O4 |
| InChI | InChI=1S/C40H56O4/c1-29(19-13-21-31(3)33(41)27-35(43)39(9)25-15-23-37(39,5)6)17-11-12-18-30(2)20-14-22-32(4)34(42)28-36(44)40(10)26-16-24-38(40,7)8/h11-14,17-22,27-28,41-42H,15-16,23-26H2,1-10H3/b12-11+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,33-27-,34-28-/t39-,40-/m0/s1 |
| InChIKey | BEWHEIMKFQFPOP-AGWXTOEASA-N |
| Molecular Weight | 600.884 g/mol |
| SMILES | C(\C=C\(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C(=C\C([C@]1(C(CCC1)(C)C)C)=O)O)C)C)C)C)O)([C@]1(C(CCC1)(C)C)C)=O |