HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3S,3'S)-4',5'-Didehydro-4,5'-retro-beta,beta-carotene-3,3'-diol
Eschscholtzxanthin · (3S,3'S)-4',5'-Didehydro-4,5'-retro-β,β-carotene-3,3'-diol · 4,5'-retro-β,β-Carotene-3,3'-diol, 4',5'-didehydro-, (3S,3'S)-
Identifiers & Physical Properties
| CAS No. | 472-73-1 |
|---|---|
| Molecular formula | C40H54O2 |
| Average molar mass | 566.9 g/mol |
| Monoisotopic mass | 566.41238096 g/mol |
| SMILES | CC1=C[C@@H](O)CC(C)(C)\C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1/C(C)=C[C@@H](O)CC1(C)C |
| InChIKey | DHHWDJUUTBWANN-WUEUEEBUSA-N |
| PubChem CID | 5281237 |
| ChEBI | CHEBI:4851 |
| DTXSID | DTXSID20415091 |
Chemical & Physical Properties
| XLogP | 10.7 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 9 |
| Heavy atoms | 42 |
| Formal charge | 0 |
| Complexity | 1,230 |
| Lipids | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107] |