| CAROTENOID INFO | |
|---|---|
| CAROTENOID NAME | Erythroxanthin sulfate |
| STRUCTURE |  |
| OTHER NAME | |
| SYSNAME/SYNONYMS | 2',3'-dihydroxy-4-oxo-beta,beta-caroten-3-yl sulfate |
| MOLECULAR FORMULA | C40H54O7S |
| MOLECULAR WEIGHT | 678.91756 |
| IUPAC NAME | [(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] hydrogen sulfate |
| InChI | BHOZZNYCHNQZFX-DKRKRNALSA-N |
| CANONICAL SMILES | CC1=C(C(C(C(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)OS(=O)(=O)O)C)C)C |
| ISOMERIC SMILES | CC1=C(C([C@H]([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)/C=C/C2=C(C(=O)[C@H](CC2(C)C)OS(=O)(=O)O)C)/C)/C |
| KEGG ID | |
| PUBCHEM ID | 16061263 |
| CHEBI ID | |
| UV SPECTRA | Lambda Max (nm): Methanol:469 (%III/II - 80) (Takaichi et al,1991) |
| NMR SPECTRA | H (500Mhz):(Takaichi et al,1991) |
| MASS SPECTRA | FD:M692 (Compatible with C41H56O7) (Takaichi et al,1991) |
| HPLC CHROMATOGRAM | |
| OTHER SPECTRA | Chloroform/methanol (3:1), RT 235 (-),262 (+), 310 (-), 360 (+)(Takaichi et al,1991) |
| REFERENCES |
1. Takaichi S, Shimada K, Ishidsu J: Monocyclic cross-conjugated carotenal from an aerobic photosynthetic bacterium, Erythrobacter longus. Phytochemistry 1988, 27:3605–3609. |
| CAROTENOID INFO | |
ProCarDB