| SpectraBase Compound ID | EmQuOi9XHQ0 |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-24(28-21(2)26)25(23)29-22(3)27/h9-10,17,19-20H,4-8,11-16,18H2,1-3H3/b10-9+ |
| InChIKey | VJJXVSZGNLXQOI-MDZDMXLPSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uanhl5rIa9 |
|---|---|
| Name | Bhilawanol A, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.277009700 u |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-24(28-21(2)26)25(23)29-22(3)27/h9-10,17,19-20H,4-8,11-16,18H2,1-3H3/b10-9+ |
| InChIKey | VJJXVSZGNLXQOI-MDZDMXLPSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | CC(=O)OC=1C(CCCCCCC\C=C\CCCCCC)=CC=CC1OC(C)=O |