| SpectraBase Compound ID | KQZLfx7mDqL |
|---|---|
| InChI | InChI=1S/C18H16O6/c1-4-18(2,3)13-11(21)7-10(20)12-14(22)8-5-6-9(19)15(23)16(8)24-17(12)13/h4-7,19-21,23H,1H2,2-3H3 |
| InChIKey | GXZSMOZDSUSQHH-UHFFFAOYSA-N |
| Mol Weight | 328.32 g/mol |
| Molecular Formula | C18H16O6 |
| Exact Mass | 328.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4i3Tdr3nuUF |
|---|---|
| Name | Assiguxanthone-A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.094688229 u |
| Formula | C18H16O6 |
| InChI | InChI=1S/C18H16O6/c1-4-18(2,3)13-11(21)7-10(20)12-14(22)8-5-6-9(19)15(23)16(8)24-17(12)13/h4-7,19-21,23H,1H2,2-3H3 |
| InChIKey | GXZSMOZDSUSQHH-UHFFFAOYSA-N |
| Molecular Weight | 328.320 g/mol |
| SMILES | C12=C(OC3=C(C2=O)C=CC(O)=C3O)C(C(C=C)(C)C)=C(C=C1O)O |