| CAROTENOID INFO | |
|---|---|
| CAROTENOID NAME | Isorenieratene |
| STRUCTURE |  |
| OTHER NAME | Leprotene |
| SYSNAME/SYNONYMS | phi,phi-Carotene |
| MOLECULAR FORMULA | C40H48 |
| MOLECULAR WEIGHT | 528.80912 |
| IUPAC NAME | 1,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene |
| InChI | ZCIHMQAPACOQHT-YSEOPJLNSA-N |
| CANONICAL SMILES | CC1=C(C(=C(C=C1)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C=CC(=C2C)C)C)C)C)C |
| ISOMERIC SMILES | CC1=C(C(=C(C=C1)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C=CC(=C2C)C)C)C)C)/C)/C)C |
| KEGG ID | C15943 |
| PUBCHEM ID | 9984420 |
| CHEBI ID | |
| UV SPECTRA | Lambda max (nm): acetonitrile/methanol/THF (58:35:7) 283, 352, 431 (shoulder), 452, 472, %III/II=26 (Takaichi,2000); benzene 443, 465, 493 (Watanabe et al, 2000); petroleum ether (425), 450, 477 (Matsuno et al,1984) |
| NMR SPECTRA | (Watanabe et al, 2000) |
| MASS SPECTRA | (Matsuno et al,1984) |
| HPLC CHROMATOGRAM | HPLC (column; Novapak C18 (Waters) 8 X 100 mm: eluelnt; acetonitrile/methanol/THF 58:35:7: flow 2.0 ml/min) Rt=8.2 min (Takaichi, 2000) |
| OTHER SPECTRA | IR spectra :(Matsuno et al,1984); |
| REFERENCES |
1. Jensen SL: Bacterial Carotenoids. XVIII. Aryl-carotenes from Phaeobium.Acta Chem. Scand. 1965, 19:1025.
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| CAROTENOID INFO | |
ProCarDB