![(1'R,3aR,8aR)-1'-(4-ethoxy-4-keto-butyl)spiro[4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxole-2,2'-cyclopentane]-1'-carboxylic acid methyl ester](/api/spectrum/CEmdF2LqBCZ/structure.png?h=300&w=458 "(1'R,3aR,8aR)-1'-(4-ethoxy-4-keto-butyl)spiro[4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxole-2,2'-cyclopentane]-1'-carboxylic acid methyl ester")
| SpectraBase Compound ID | 7H0wlFgUdNt |
|---|---|
| InChI | InChI=1S/C20H32O6/c1-3-24-17(21)11-7-12-19(18(22)23-2)13-8-14-20(19)25-15-9-5-4-6-10-16(15)26-20/h15-16H,3-14H2,1-2H3/t15-,16-,19-/m1/s1 |
| InChIKey | XVFCSIAKVBRXOF-GPMSIDNRSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C20H32O6 |
| Exact Mass | 368.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CEmdF2LqBCZ |
|---|---|
| Name | (1'R,3aR,8aR)-1'-(4-ethoxy-4-keto-butyl)spiro[4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxole-2,2'-cyclopentane]-1'-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O6 |
| InChI | InChI=1S/C20H32O6/c1-3-24-17(21)11-7-12-19(18(22)23-2)13-8-14-20(19)25-15-9-5-4-6-10-16(15)26-20/h15-16H,3-14H2,1-2H3/t15-,16-,19-/m1/s1 |
| InChIKey | XVFCSIAKVBRXOF-GPMSIDNRSA-N |
| Molecular Weight | 368.470 g/mol |
| SMILES | C12([C@](C(=O)OC)(CCCC(=O)OCC)CCC2)O[C@@]2(CCCCC[C@]2(O1)[H])[H] |
| SPLASH | splash10-014i-0912000000-ac4ee44693e9bbb546ec |
| Source of Spectrum | KC-0-3444-11 |
| Synonyms | (1'R,3aR,8aR)-1'-(4-ethoxy-4-oxobutyl)-1'-spiro[4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxole-2,2'-cyclopentane]carboxylic acid methyl ester Methyl (1'R,3aR,8aR)-1'-(4-ethoxy-4-oxidanylidene-butyl)spiro[4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxole-2,2'-cyclopentane]-1'-carboxylate Methyl (1'R,3aR,8aR)-1'-(4-ethoxy-4-oxo-butyl)spiro[4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxole-2,2'-cyclopentane]-1'-carboxylate |
| Wiley ID | 782774 |