| SpectraBase Compound ID | 7afhiILXDXY |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25)19-22(26)23(20)24(27)28/h9-10,18-19,25-26H,2-8,11-17H2,1H3,(H,27,28)/b10-9+ |
| InChIKey | IXDZSQUQSCLSSD-MDZDMXLPSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Dus0eEkaW1 |
|---|---|
| Name | Merulinic acid A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25)19-22(26)23(20)24(27)28/h9-10,18-19,25-26H,2-8,11-17H2,1H3,(H,27,28)/b10-9+ |
| InChIKey | IXDZSQUQSCLSSD-MDZDMXLPSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C=1(C(=CC(=CC1CCCCCCC\C=C\CCCCCCCC)O)O)C(=O)O |