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| IUPAC Name: | methyl (2E,4E,6E,8E)-9-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-3,7-dimethylnona-2,4,6,8-tetraenoate |
| Description: | 5,6-Dihydro-5,6-dihydroxyretinoic Acid Methyl Ester is an intermediate in the synthesis of Ro 22-5112 (R637180), a retinoid that has been used in a QSAR analysis for the use of retinoids as a carcinogenesis inhibitor. |
| Molecular Weight: | 348.48 |
| Molecular Formula: | C21H32O4 |
| Canonical SMILES: | CC(=CC=CC(=CC(=O)OC)C)C=CC1(C(CCCC1(C)O)(C)C)O |
| InChI: | InChI=1S/C21H32O4/c1-16(9-7-10-17(2)15-18(22)25-6)11-14-21(24)19(3,4)12-8-13-20(21,5)23/h7,9-11,14-15,23-24H,8,12-13H2,1-6H3/b10-7+,14-11+,16-9+,17-15+ |
| InChI Key: | RZAQIXABEIOMSQ-FEPFPIPXSA-N |
| Solubility: | DCM, Ethyl Acetate |
| Appearance: | Yellow Solid |
| References: | Niculescu-Duvaz, I., et. al. Carcinogenesis, 6, 479 (1985). |
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