| SpectraBase Compound ID | 7MTXRuKAmjq |
|---|---|
| InChI | InChI=1S/C22H30O6/c1-13(7-15-9-17(23)21(27-5)19(11-15)25-3)14(2)8-16-10-18(24)22(28-6)20(12-16)26-4/h9-14,23-24H,7-8H2,1-6H3 |
| InChIKey | RLRKIWSBYUZHIJ-UHFFFAOYSA-N |
| Mol Weight | 390.48 g/mol |
| Molecular Formula | C22H30O6 |
| Exact Mass | 390.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2EApwfc8UJ8 |
|---|---|
| Name | Pregomisin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.204238680 u |
| Formula | C22H30O6 |
| InChI | InChI=1S/C22H30O6/c1-13(7-15-9-17(23)21(27-5)19(11-15)25-3)14(2)8-16-10-18(24)22(28-6)20(12-16)26-4/h9-14,23-24H,7-8H2,1-6H3 |
| InChIKey | RLRKIWSBYUZHIJ-UHFFFAOYSA-N |
| Molecular Weight | 390.476 g/mol |
| SMILES | C(C(C(CC1=CC(=C(C(=C1)OC)OC)O)C)C)C1=CC(=C(C(=C1)OC)OC)O |