| SpectraBase Compound ID | 5YsWD4AvIo |
|---|---|
| InChI | InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14- |
| InChIKey | HQMNCQVAMBCHCO-RAZVQKLASA-N |
| Mol Weight | 354.49 g/mol |
| Molecular Formula | C23H30O3 |
| Exact Mass | 354.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4EED1VCMTjy |
|---|---|
| Name | 2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, ethyl ester, (Z,E,E,E)- |
| CAS Registry Number | 69427-41-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H30O3 |
| InChI | InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14- |
| InChIKey | HQMNCQVAMBCHCO-RAZVQKLASA-N |
| Molecular Weight | 354.490 g/mol |
| SMILES | c1(c(c(C)c(cc1C)OC)C)\C=C\C(=C\C=C\C(=C/C(=O)OCC)C)C |
| SPLASH | splash10-0udi-0896000000-e7b5ba51792defb6394f |
| Source of Spectrum | H-61-2707-0 |
| Synonyms | (2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid ethyl ester 13-cis-etretinate Ethyl (13-cis)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate Ethyl (2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate (2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester RO 13-7837 |
| Wiley ID | 1344944 |