![(+/-)-(1R*,2R*,6R*,7S*)-ETHYL-7-HYDROXY-4-OXO-BICYCLO-[4.3.0]-NON-2-YL-CARBOXYLATE](/api/spectrum/5xUlo5B69Bl/structure.png?h=300&w=458 "(+/-)-(1R*,2R*,6R*,7S*)-ETHYL-7-HYDROXY-4-OXO-BICYCLO-[4.3.0]-NON-2-YL-CARBOXYLATE")
| SpectraBase Compound ID | 8rltiBlPpSL |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-2-16-12(15)10-6-7(13)5-9-8(10)3-4-11(9)14/h8-11,14H,2-6H2,1H3/t8-,9-,10-,11+/m1/s1 |
| InChIKey | IGUFPRHOCXHGAZ-DBIOUOCHSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5xUlo5B69Bl |
|---|---|
| Name | (1S,3aR,4R,7aR)-1-hydroxy-6-keto-1,2,3,3a,4,5,7,7a-octahydroindene-4-carboxylic acid ethyl ester |
| CAS Registry Number | 123590-70-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-2-16-12(15)10-6-7(13)5-9-8(10)3-4-11(9)14/h8-11,14H,2-6H2,1H3/t8-,9-,10-,11+/m1/s1 |
| InChIKey | IGUFPRHOCXHGAZ-DBIOUOCHSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | O[C@@]1([C@]2([C@]([C@](C(=O)OCC)(CC(C2)=O)[H])(CC1)[H])[H])[H] |
| SPLASH | splash10-0fc9-0910000000-091501b6057a629cbf39 |
| Source of Spectrum | F-45-1405-18 |
| Synonyms | (1S,3aR,4R,7aR)-1-hydroxy-6-oxo-1,2,3,3a,4,5,7,7a-octahydroindene-4-carboxylic acid ethyl ester Ethyl (1S,3aR,4R,7aR)-1-hydroxy-6-oxo-1,2,3,3a,4,5,7,7a-octahydroindene-4-carboxylate Ethyl (1S,3aR,4R,7aR)-1-oxidanyl-6-oxidanylidene-1,2,3,3a,4,5,7,7a-octahydroindene-4-carboxylate |
| Wiley ID | 1227294 |