| CAROTENOID INFO | |
|---|---|
| CAROTENOID NAME | Astaxanthin |
| STRUCTURE |  |
| OTHER NAME | Astaxanthine, Natupink, BioAstin, Carophyll Pink, Lucantin Pink, trans-Astaxanthin, AstaREAL, BioAstin oleoresin, Astaxanthin (6CI) |
| SYSNAME/SYNONYMS | 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione |
| MOLECULAR FORMULA | C40H52O4 |
| MOLECULAR WEIGHT | 596.83848 |
| IUPAC NAME | (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one |
| InChI | MQZIGYBFDRPAKN-UWFIBFSHSA-N |
| CANONICAL SMILES | CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C |
| ISOMERIC SMILES | CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)C)C)/C)/C |
| KEGG ID | C08580 |
| PUBCHEM ID | 10773 |
| CHEBI ID | CHEBI:40968 |
| UV SPECTRA | Lambda max (nm): Acetone: 480 (Britton et al, 2008) |
| NMR SPECTRA | |
| MASS SPECTRA | M596, 580 (M-16),564(M-16-16), 504(M-92), 490(M-106), 445, 133, 109, 91, 83, 69, 59, 43 Enzell et al,1969) |
| HPLC CHROMATOGRAM | |
| OTHER SPECTRA | |
| REFERENCES |
1.Enzell CR, Francis GW, Liaaen-Jensen S, Schultes RE, Lindberg AA, Jansen G, Lamm B, Samuelsson B: Mass Spectrometric Studies of Carotenoids. 2. A Survey of Fragmentation Reactions. Acta Chem. Scand. 1969, 23:727-750.(PMID: 5806308); 2. Britton G, Liaaen-Jensen S, Pfander H Carotenoids handbook; compiled by Mercadante AZ, Egeland ES. 2008, pp 404-406 |
| CAROTENOID INFO | |
ProCarDB