| SpectraBase Compound ID | 1JgQlL3VJoc |
|---|---|
| InChI | InChI=1S/C22H36O8/c1-5-6-7-8-9-19(28-15(3)24)20-11-10-17-18(27-14(2)23)12-13-21(29-16(4)25)22(17,26)30-20/h17-21,26H,5-13H2,1-4H3/t17-,18-,19+,20+,21+,22+/m1/s1 |
| InChIKey | RNNPKWLIRXWZLZ-PQQZDNAISA-N |
| Mol Weight | 428.5 g/mol |
| Molecular Formula | C22H36O8 |
| Exact Mass | 428.241018 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5ygim4LLyVT |
|---|---|
| Name | Koninginin - triacetate |
| Alternate Name(s) | 6-(1'-Acetoxyheptyl)-1,4-diacetoxy-10-thydroxy-(perhydro)-5-oxanaphthalene Acetic acid [(2S,4aR,5R,8S,8aS)-8-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydro-1-benzopyran-5-yl] ester [(2S,4aR,5R,8S,8aS)-8-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydrochromen-5-yl] acetate [(2S,4aR,5R,8S,8aS)-8-acetoxy-2-[(1S)-1-acetoxyheptyl]-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydrochromen-5-yl] acetate [(2S,4aR,5R,8S,8aS)-8-acetyloxy-2-[(1S)-1-acetyloxyheptyl]-8a-oxidanyl-2,3,4,4a,5,6,7,8-octahydrochromen-5-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O8 |
| InChI | InChI=1S/C22H36O8/c1-5-6-7-8-9-19(28-15(3)24)20-11-10-17-18(27-14(2)23)12-13-21(29-16(4)25)22(17,26)30-20/h17-21,26H,5-13H2,1-4H3/t17-,18-,19+,20+,21+,22+/m1/s1 |
| InChIKey | RNNPKWLIRXWZLZ-PQQZDNAISA-N |
| Molecular Weight | 428.522 g/mol |
| SMILES | O[C@@]12[C@@]([C@](OC(=O)C)(CC[C@@]2(OC(=O)C)[H])[H])(CC[C@](O1)([C@@](OC(=O)C)(CCCCCC)[H])[H])[H] |
| SPLASH | splash10-001j-0491000000-a367388ec203e5c5b22b |
| Source of Spectrum | G4-62-138-2 |
| Wiley ID | 1607679 |