| SpectraBase Compound ID | Lq90iCGQt8H |
|---|---|
| InChI | InChI=1S/C21H16O8/c1-25-13-7-10(23)8-3-2-4-11-15(8)20(13)27-12-6-5-9(22)14-16(12)21(28-11,29-20)19-18(26-19)17(14)24/h2-6,13,17-19,22,24H,7H2,1H3/t13-,17-,18-,19-,20-,21+/m1/s1 |
| InChIKey | DIBXCWWZBPEJSW-MFGAOICXSA-N |
| Mol Weight | 396.35 g/mol |
| Molecular Formula | C21H16O8 |
| Exact Mass | 396.084517 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GKtyVuKcT2a |
|---|---|
| Name | Preussomerin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H16O8 |
| InChI | InChI=1S/C21H16O8/c1-25-13-7-10(23)8-3-2-4-11-15(8)20(13)27-12-6-5-9(22)14-16(12)21(28-11,29-20)19-18(26-19)17(14)24/h2-6,13,17-19,22,24H,7H2,1H3/t13-,17-,18-,19-,20-,21+/m1/s1 |
| InChIKey | DIBXCWWZBPEJSW-MFGAOICXSA-N |
| Molecular Weight | 396.351 g/mol |
| SMILES | Oc1ccc2O[C@@]34O[C@]5(c2c1[C@]([C@@]1([C@]5(O1)[H])[H])(O)[H])Oc1cccc(c41)C(=O)C[C@]3(OC)[H] |
| SPLASH | splash10-01oy-2955000000-1d22294f7dae79816975 |
| Source of Spectrum | G4-71-955-6 |
| Wiley ID | 1694994 |