| SpectraBase Compound ID | 3F5RNIwMhAE |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-6-8-16(22)10-11-17-15(2)9-12-18-20(17,3)13-7-14-21(18,4)19(23)24-5/h6,8,17-18H,2,7,9-14H2,1,3-5H3/b8-6+/t17-,18?,20+,21-/m0/s1 |
| InChIKey | RYWZLSPMMROWGM-WDRAHNLTSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5moG1slzV74 |
|---|---|
| Name | Methyl 13-oxo-14(13->16)abeo-labda-8(17),16-dien-19-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/c1-6-8-16(22)10-11-17-15(2)9-12-18-20(17,3)13-7-14-21(18,4)19(23)24-5/h6,8,17-18H,2,7,9-14H2,1,3-5H3/b8-6+/t17-,18?,20+,21-/m0/s1 |
| InChIKey | RYWZLSPMMROWGM-WDRAHNLTSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCC([C@@]1(CCC(\C=C\C)=O)[H])=C)C |