| SpectraBase Compound ID | JbxsJN7D1FH |
|---|---|
| InChI | InChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,21-22H,1-4,7,10H2 |
| InChIKey | QUHYUSAHBDACNG-UHFFFAOYSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C19H22O3 |
| Exact Mass | 298.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14EOV1TuQ0l |
|---|---|
| Name | Acerogenin G |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.156894565 u |
| Formula | C19H22O3 |
| InChI | InChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,21-22H,1-4,7,10H2 |
| InChIKey | QUHYUSAHBDACNG-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)CCC(CCCCC1=CC=C(C=C1)O)=O)O |