| SpectraBase Compound ID | GcES6JpNpZJ |
|---|---|
| InChI | InChI=1S/C17H18O6/c1-9(2)15(20)17(22-10(3)18)14-12(21-4)7-5-11-6-8-13(19)23-16(11)14/h5-8,15,17,20H,1H2,2-4H3 |
| InChIKey | PDSMUJYSJVAMNJ-UHFFFAOYSA-N |
| Mol Weight | 318.33 g/mol |
| Molecular Formula | C17H18O6 |
| Exact Mass | 318.110338 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 | 5AUc30USgdM |
|---|---|
| Name | Murrangatin acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.110338294 u |
| Formula | C17H18O6 |
| InChI | InChI=1S/C17H18O6/c1-9(2)15(20)17(22-10(3)18)14-12(21-4)7-5-11-6-8-13(19)23-16(11)14/h5-8,15,17,20H,1H2,2-4H3 |
| InChIKey | PDSMUJYSJVAMNJ-UHFFFAOYSA-N |
| Molecular Weight | 318.325 g/mol |
| SMILES | C1(=C2OC(=O)C=CC2=CC=C1OC)C(C(C(=C)C)O)OC(=O)C |