| SpectraBase Compound ID | DKby6hFFsVA |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-19(12-13-22)11-8-16-15(14-19)6-7-17-20(16,2)9-5-10-21(17,3)18(23)24-4/h12-13,15-17,22H,5-11,14H2,1-4H3/b13-12+/t15?,16?,17?,19?,20-,21-/m1/s1 |
| InChIKey | HQBWZBUYCKMTCW-NGWUDNHSSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2DfEofsRmi |
|---|---|
| Name | Methyl 15 - hydroxy - pimarate (epims misspells ""pimerate"") |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.250794952 u |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-19(12-13-22)11-8-16-15(14-19)6-7-17-20(16,2)9-5-10-21(17,3)18(23)24-4/h12-13,15-17,22H,5-11,14H2,1-4H3/b13-12+/t15?,16?,17?,19?,20-,21-/m1/s1 |
| InChIKey | HQBWZBUYCKMTCW-NGWUDNHSSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | [C@@]12(C([C@](C(=O)OC)(CCC2)C)CCC2C1CCC(C2)(\C=C\O)C)C |