![[(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetoxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-2-yl]methyl acetate](/api/spectrum/297JkCC7gym/structure.png?h=300&w=458 "[(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetoxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-2-yl]methyl acetate")
| SpectraBase Compound ID | 5zMdR5vPKpM |
|---|---|
| InChI | InChI=1S/C18H23IO8/c1-8(20)23-7-14-16(24-9(2)21)17(25-10(3)22)15-12-5-4-11(19)6-13(12)26-18(15)27-14/h4,12-18H,5-7H2,1-3H3/t12-,13-,14-,15-,16-,17-,18+/m1/s1 |
| InChIKey | XLNFIAMIGIIWST-TVLLWILJSA-N |
| Mol Weight | 494.28 g/mol |
| Molecular Formula | C18H23IO8 |
| Exact Mass | 494.043763 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 297JkCC7gym |
|---|---|
| Name | [(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetoxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-2-yl]methyl acetate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H23IO8 |
| InChI | InChI=1S/C18H23IO8/c1-8(20)23-7-14-16(24-9(2)21)17(25-10(3)22)15-12-5-4-11(19)6-13(12)26-18(15)27-14/h4,12-18H,5-7H2,1-3H3/t12-,13-,14-,15-,16-,17-,18+/m1/s1 |
| InChIKey | XLNFIAMIGIIWST-TVLLWILJSA-N |
| Molecular Weight | 494.278 g/mol |
| SMILES | [C@@]12([C@@](O[C@]3([C@]2(CC=C(I)C3)[H])[H])(O[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])[H] |
| SPLASH | splash10-014i-0900000000-4e33b344003d6a522ffb |
| Source of Spectrum | F-53-8415-0 |
| Synonyms | [(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetyloxy-7-iodanyl-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b][1]benzofuran-2-yl]methyl ethanoate [(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetyloxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b][1]benzofuran-2-yl]methyl acetate acetic acid [(2R,3S,4R,4aR,4bS,8aR,9aS)-3,4-diacetyloxy-7-iodo-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b]benzofuran-2-yl]methyl ester |
| Wiley ID | 802615 |