| SpectraBase Compound ID | LZVG6cI2QJi |
|---|---|
| InChI | InChI=1S/C23H28O4/c1-16(2)11-14-19-20(25-3)15-18(13-12-17-9-7-6-8-10-17)21(22(19)26-4)23(24)27-5/h6-11,15H,12-14H2,1-5H3 |
| InChIKey | SKDZLGMBEAGRJU-UHFFFAOYSA-N |
| Mol Weight | 368.47 g/mol |
| Molecular Formula | C23H28O4 |
| Exact Mass | 368.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rvqHmo8cWi |
|---|---|
| Name | Amorfrutin A, dimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.198759378 u |
| Formula | C23H28O4 |
| InChI | InChI=1S/C23H28O4/c1-16(2)11-14-19-20(25-3)15-18(13-12-17-9-7-6-8-10-17)21(22(19)26-4)23(24)27-5/h6-11,15H,12-14H2,1-5H3 |
| InChIKey | SKDZLGMBEAGRJU-UHFFFAOYSA-N |
| Molecular Weight | 368.473 g/mol |
| SMILES | C(C1=C(C(=C(C=C1CCC1=CC=CC=C1)OC)CC=C(C)C)OC)(=O)OC |