| SpectraBase Compound ID | FPG2crj3Agx |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-15-7-6-8-18-20(15,3)11-9-16(2)21(18,4)12-10-17(14-22)13-19(23)24-5/h7,13-14,16,18H,6,8-12H2,1-5H3/b17-13-/t16-,18+,20+,21+/m1/s1 |
| InChIKey | LBQJQXBWPAQSOS-STTWNCNFSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Dje74iuGpsn |
|---|---|
| Name | Methyl 16-oxo-cleroda-3,13(14)-E-dien-15-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-15-7-6-8-18-20(15,3)11-9-16(2)21(18,4)12-10-17(14-22)13-19(23)24-5/h7,13-14,16,18H,6,8-12H2,1-5H3/b17-13-/t16-,18+,20+,21+/m1/s1 |
| InChIKey | LBQJQXBWPAQSOS-STTWNCNFSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | [C@]12([C@@]([C@](CC\C(=C\C(=O)OC)C=O)(C)[C@@](CC2)(C)[H])(CCC=C1C)[H])C |