Flavoxanthin
(2R,6S,7aR)-2-[17-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
Also Known As: Flavoxanthin
CAS: 512-29-8
| Molecular Formula | C40H56O3 |
|---|---|
| Molecular Weight | 584.423 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 584.423 |
| Monoisotopic Mass | 584.423 |
| Heavy Atoms | 43 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 512-29-8 |
|---|---|
| SMILES | CC1=C[C@@H](CC([C@H]1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)[C@H]2C=C3[C@](O2)(C[C@H](CC3(C)C)O)C)C)C)(C)C)O |
| InChIKey | JRHJXXLCNATYLS-YGPREHEXSA-N |
Product Overview
Flavoxanthin (CAS 512-29-8), with molecular formula C40H56O3 and molecular weight 584.423 g/mol. IUPAC: (2R,6S,7aR)-2-[17-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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