| SpectraBase Compound ID | 4QBGz6PDRNF |
|---|---|
| InChI | InChI=1S/C27H34O11/c1-32-18-7-4-13(8-20(18)34-3)25-16-11-36-26(17(16)12-35-25)15-6-5-14(9-19(15)33-2)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,16-17,21-31H,10-12H2,1-3H3/t16?,17?,21-,22-,23+,24-,25-,26+,27-/m1/s1 |
| InChIKey | ZTIZEXUIEBLYBL-UYWYONGCSA-N |
| Mol Weight | 534.6 g/mol |
| Molecular Formula | C27H34O11 |
| Exact Mass | 534.210112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7r6ZbiB7zTf |
|---|---|
| Name | Forsythin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 534.210111904 u |
| Formula | C27H34O11 |
| InChI | InChI=1S/C27H34O11/c1-32-18-7-4-13(8-20(18)34-3)25-16-11-36-26(17(16)12-35-25)15-6-5-14(9-19(15)33-2)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,16-17,21-31H,10-12H2,1-3H3/t16?,17?,21-,22-,23+,24-,25-,26+,27-/m1/s1 |
| InChIKey | ZTIZEXUIEBLYBL-UYWYONGCSA-N |
| Molecular Weight | 534.558 g/mol |
| SMILES | OC[C@]1(O[C@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])(OC=1C=CC(=C(C1)OC)[C@@]1(OCC2[C@](OCC12)(C1=CC(=C(C=C1)OC)OC)[H])[H])[H])[H] |