![(1R*,3S*,4R*,7R*,8R*)-8-[2-(1,3-Dioxolan-2-yl)-ethyl]-3-hydroxy-1,3,7-trimethylbicyclo[2.2.2]-octane-2,6-dione](/api/spectrum/3jfHIGIYy0/structure.png?h=300&w=458 "(1R*,3S*,4R*,7R*,8R*)-8-[2-(1,3-Dioxolan-2-yl)-ethyl]-3-hydroxy-1,3,7-trimethylbicyclo[2.2.2]-octane-2,6-dione")
| SpectraBase Compound ID | 30lIT1VVlt4 |
|---|---|
| InChI | InChI=1S/C16H24O5/c1-9-10(4-5-13-20-6-7-21-13)11-8-12(17)15(9,2)14(18)16(11,3)19/h9-11,13,19H,4-8H2,1-3H3/t9-,10-,11+,15-,16+/m1/s1 |
| InChIKey | STYRYDRZCPDNBI-IYNXJIPJSA-N |
| Mol Weight | 296.36 g/mol |
| Molecular Formula | C16H24O5 |
| Exact Mass | 296.162374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3jfHIGIYy0 |
|---|---|
| Name | (1R*,3S*,4R*,7R*,8R*)-8-[2-(1,3-Dioxolan-2-yl)-ethyl]-3-hydroxy-1,3,7-trimethylbicyclo[2.2.2]-octane-2,6-dione |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H24O5 |
| InChI | InChI=1S/C16H24O5/c1-9-10(4-5-13-20-6-7-21-13)11-8-12(17)15(9,2)14(18)16(11,3)19/h9-11,13,19H,4-8H2,1-3H3/t9-,10-,11+,15-,16+/m1/s1 |
| InChIKey | STYRYDRZCPDNBI-IYNXJIPJSA-N |
| Literature Reference DOI | 10.1021/ol702062p |
| Molecular Weight | 296.363 g/mol |
| SMILES | O[C@@]1(C([C@]2(C(=O)C[C@@]1([H])[C@](CCC1OCCO1)([C@]2(C)[H])[H])C)=O)C |
| SPLASH | splash10-0229-6930000000-e4032fef97ce7c31d484 |
| Source of Spectrum | A1-9-4563/SMS8-3 |
| Synonyms | (1R,3S,4R,7R,8R)-8-(2-(1,3-dioxolan-2-yl)ethyl)-3-hydroxy-1,3,7-trimethylbicyclo[2.2.2]octane-2,6-dione (1R,2S,4R,5R,6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-2-hydroxy-2,4,5-trimethylbicyclo[2.2.2]octane-3,8-dione (1R,2S,4R,5R,6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-2-hydroxy-2,4,5-trimethyl-bicyclo[2.2.2]octane-3,8-dione (1R,2S,4R,5R,6R)-6-[2-(1,3-dioxolan-2-yl)ethyl]-2,4,5-trimethyl-2-oxidanyl-bicyclo[2.2.2]octane-3,8-dione |
| Wiley ID | 1758719 |