| SpectraBase Compound ID | IeY2FTVGyxI |
|---|---|
| InChI | InChI=1S/C40H56O/c1-31(2)29-38(41)30-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-27-39-37(8)25-16-28-40(39,9)10/h11-15,17-24,26-27,38,41H,1,16,25,28-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,27-26+,32-17+,33-18+,34-21+,35-23+,36-24+ |
| InChIKey | QRUCYXWFUIIUAY-NJCIIWHRSA-N |
| Mol Weight | 552.9 g/mol |
| Molecular Formula | C40H56O |
| Exact Mass | 552.433116 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 72j7ngtYnx6 |
|---|---|
| Name | Aleuriaxanthin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 552.433116422 u |
| Formula | C40H56O |
| InChI | InChI=1S/C40H56O/c1-31(2)29-38(41)30-36(7)24-15-22-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-23-35(6)26-27-39-37(8)25-16-28-40(39,9)10/h11-15,17-24,26-27,38,41H,1,16,25,28-30H2,2-10H3/b12-11+,19-13+,20-14+,22-15+,27-26+,32-17+,33-18+,34-21+,35-23+,36-24+ |
| InChIKey | QRUCYXWFUIIUAY-NJCIIWHRSA-N |
| Molecular Weight | 552.887 g/mol |
| SMILES | C1(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(CC(CC(=C)C)O)C)C)C)C)C)=C(CCCC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88747 |