![(2R,3R,4aR,8aR)-2-[(Methoxycarbonyl)methyl]octahydropyrano[3,2-b]pyran-3-yl Benzoate](/api/spectrum/2qOq4V1oNcd/structure.png?h=300&w=458 "(2R,3R,4aR,8aR)-2-[(Methoxycarbonyl)methyl]octahydropyrano[3,2-b]pyran-3-yl Benzoate")
| SpectraBase Compound ID | 6ZpGkUnp8gj |
|---|---|
| InChI | InChI=1S/C18H22O6/c1-21-17(19)11-16-15(10-14-13(23-16)8-5-9-22-14)24-18(20)12-6-3-2-4-7-12/h2-4,6-7,13-16H,5,8-11H2,1H3/t13-,14-,15-,16-/m1/s1 |
| InChIKey | YHMJSZRBMJKPKY-KLHDSHLOSA-N |
| Mol Weight | 334.37 g/mol |
| Molecular Formula | C18H22O6 |
| Exact Mass | 334.141638 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2qOq4V1oNcd |
|---|---|
| Name | (2R,3R,4aR,8aR)-2-[(Methoxycarbonyl)methyl]octahydropyrano[3,2-b]pyran-3-yl Benzoate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H22O6 |
| InChI | InChI=1S/C18H22O6/c1-21-17(19)11-16-15(10-14-13(23-16)8-5-9-22-14)24-18(20)12-6-3-2-4-7-12/h2-4,6-7,13-16H,5,8-11H2,1H3/t13-,14-,15-,16-/m1/s1 |
| InChIKey | YHMJSZRBMJKPKY-KLHDSHLOSA-N |
| Molecular Weight | 334.368 g/mol |
| SMILES | [C@]1(O[C@]2([C@@](C[C@]1(OC(=O)c1ccccc1)[H])(OCCC2)[H])[H])(CC(=O)OC)[H] |
| SPLASH | splash10-0bt9-0930000000-a06c80b1a20fa1b4c221 |
| Source of Spectrum | J-62-4582-94 |
| Synonyms | (2R,3R,4aR,8aR)-2-(2-methoxy-2-oxoethyl)-octahydropyrano[3,2-b]pyran-3-yl benzoate benzoic acid [(2R,3R,4aR,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] ester [(2R,3R,4aR,8aR)-2-(2-methoxy-2-oxoethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] benzoate [(2R,3R,4aR,8aR)-2-(2-methoxy-2-oxo-ethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] benzoate [(2R,3R,4aR,8aR)-2-(2-methoxy-2-oxidanylidene-ethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-yl] benzoate |
| Wiley ID | 1330895 |