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| IUPAC Name: | (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal |
| Description: | Apocarotenal is a carotenoid found in spinach and citrus fruits and plays a role as a precursor of vitamin A, which is formed from β-carotene in vivo and is an inducer of cytochrome P450 1A (CYP1A) in rats and in Ah-receptor-responsive mice. Apocarotenal is also an internal standard in the detection of citrus carotenoids by reversed-phase HPLC. |
| Molecular Weight: | 416.64 |
| Molecular Formula: | C30H40O |
| Canonical SMILES: | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
| InChI: | InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+ |
| InChI Key: | DFMMVLFMMAQXHZ-DOKBYWHISA-N |
| Boiling Point: | 575.7 °C at 760 mmHg |
| Melting Point: | 138-141°C |
| Purity: | ≥96% |
| Density: | 0.949 g/cm3 |
| Solubility: | Soluble in Chloroform (1 mg/mL) |
| Appearance: | Blue to Black Powder or Solid |
| Storage: | Store at -20°C |
| MDL: | MFCD00042626 |
| LogP: | 8.72190 |
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