| SpectraBase Compound ID | 61F39V3jeKm |
|---|---|
| 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+ |
| InChIKey | RZAQIXABEIOMSQ-FEPFPIPXSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8q61uQiKypL |
|---|---|
| Name | Methyl all-trans-5,6-erythro-5,6-dihydroxy-5,6-dihydroretinoate |
| Alternate Name(s) | (2E,4E,6E,8E)-9-(1,2-dihydroxy-2,6,6-trimethyl-cyclohexyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid methyl ester Methyl (2E,4E,6E,8E)-3,7-dimethyl-9-[2,2,6-trimethyl-1,6-bis(oxidanyl)cyclohexyl]nona-2,4,6,8-tetraenoate Methyl (2E,4E,6E,8E)-9-(1,2-dihydroxy-2,6,6-trimethyl-cyclohexyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate (2E,4E,6E,8E)-9-(1,2-dihydroxy-2,6,6-trimethylcyclohexyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid methyl ester |
| CAS Registry Number | 69780-52-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O4 |
| 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+ |
| InChIKey | RZAQIXABEIOMSQ-FEPFPIPXSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | OC1(C(CCCC1(C)O)(C)C)\C=C\C(=C\C=C\C(=C\C(OC)=O)C)C |
| SPLASH | splash10-0a6r-0913000000-1649e300afcce1573942 |
| Source of Spectrum | W5-1989-1137-1 |
| Wiley ID | 1340844 |