| SpectraBase Compound ID | L7nQERQIk1E |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-23(20-26(2)22-27(3,31-30-26)21-25(28)29-4)16-12-9-7-5-6-8-10-13-17-24-18-14-11-15-19-24/h5-6,11,13-15,17-19,23H,7-10,12,16,20-22H2,1-4H3/b6-5+,17-13+/t23?,26-,27-/m1/s1 |
| InChIKey | WRRKXRPXPWHLPK-HGWOHOFTSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JH6WQ2zhGhQ |
|---|---|
| Name | Epiplakinic acid C methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.292659764 u |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-23(20-26(2)22-27(3,31-30-26)21-25(28)29-4)16-12-9-7-5-6-8-10-13-17-24-18-14-11-15-19-24/h5-6,11,13-15,17-19,23H,7-10,12,16,20-22H2,1-4H3/b6-5+,17-13+/t23?,26-,27-/m1/s1 |
| InChIKey | WRRKXRPXPWHLPK-HGWOHOFTSA-N |
| Molecular Weight | 428.613 g/mol |
| SMILES | [C@]1(OO[C@@](C1)(CC(CCCC\C=C\CC\C=C\C1=CC=CC=C1)C)C)(CC(=O)OC)C |