| SpectraBase Compound ID | D0jsUpEkLWJ |
|---|---|
| InChI | InChI=1S/C40H54O/c1-30(18-12-19-32(3)22-14-24-37-34(5)23-15-27-39(37,7)8)16-11-17-31(2)20-13-21-33(4)25-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-22,24,36,41H,15,23,27-29H2,1-10H3/b16-11+,19-12+,20-13+,24-14+,30-18+,31-17+,32-22+,33-21+/t36-/m1/s1 |
| InChIKey | MKFWFPQDBJIJOP-ZEFFRDNZSA-N |
| Mol Weight | 550.9 g/mol |
| Molecular Formula | C40H54O |
| Exact Mass | 550.417466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61yhVJgmXRj |
|---|---|
| Name | (all E)-(3R)-7,8-Didehydrocryptoxanthin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 550.417466358 u |
| Formula | C40H54O |
| InChI | InChI=1S/C40H54O/c1-30(18-12-19-32(3)22-14-24-37-34(5)23-15-27-39(37,7)8)16-11-17-31(2)20-13-21-33(4)25-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-22,24,36,41H,15,23,27-29H2,1-10H3/b16-11+,19-12+,20-13+,24-14+,30-18+,31-17+,32-22+,33-21+/t36-/m1/s1 |
| InChIKey | MKFWFPQDBJIJOP-ZEFFRDNZSA-N |
| Molecular Weight | 550.871 g/mol |
| SMILES | C1(C#C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C2=C(CCCC2(C)C)C)C)C)C)C)=C(C[C@](CC1(C)C)(O)[H])C |