| SpectraBase Compound ID | FstfNs8ozP4 |
|---|---|
| InChI | InChI=1S/C22H26O7/c1-10(2)12-7-15-13(21(24)27-6)8-16(28-15)18(11(3)4)17-9-14(22(25)29-17)20(26-5)19(12)23/h8-9,12,17-20,23H,1,3,7H2,2,4-6H3/t12-,17?,18-,19+,20-/m0/s1 |
| InChIKey | MFBOHXMPIBDLKA-LQWKNLRLSA-N |
| Mol Weight | 402.44 g/mol |
| Molecular Formula | C22H26O7 |
| Exact Mass | 402.167853 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 | KuES6jxbCRR |
|---|---|
| Name | Methoxygorgiacerol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.167853170 u |
| Formula | C22H26O7 |
| InChI | InChI=1S/C22H26O7/c1-10(2)12-7-15-13(21(24)27-6)8-16(28-15)18(11(3)4)17-9-14(22(25)29-17)20(26-5)19(12)23/h8-9,12,17-20,23H,1,3,7H2,2,4-6H3/t12-,17?,18-,19+,20-/m0/s1 |
| InChIKey | MFBOHXMPIBDLKA-LQWKNLRLSA-N |
| Molecular Weight | 402.443 g/mol |
| SMILES | C1=2C(OC(C2)[C@](C2=CC(=C(C[C@]([C@]([C@]1(OC)[H])(O)[H])(C(=C)C)[H])O2)C(=O)OC)(C(=C)C)[H])=O |