| SpectraBase Compound ID | CjJLbbKjhdD |
|---|---|
| InChI | InChI=1S/C20H26O3/c1-12(2)13-5-7-15-14(11-13)6-8-16-19(15,3)10-9-17(21)20(16,4)18(22)23/h5,7,11,16-17,21H,1,6,8-10H2,2-4H3,(H,22,23) |
| InChIKey | YHNWRENETFFAOQ-UHFFFAOYSA-N |
| Mol Weight | 314.43 g/mol |
| Molecular Formula | C20H26O3 |
| Exact Mass | 314.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNnQyhJUZx3 |
|---|---|
| Name | 3.beta.-Hydroxy-8,11,13(14)-abietatetraen-18-oic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.188194694 u |
| Formula | C20H26O3 |
| InChI | InChI=1S/C20H26O3/c1-12(2)13-5-7-15-14(11-13)6-8-16-19(15,3)10-9-17(21)20(16,4)18(22)23/h5,7,11,16-17,21H,1,6,8-10H2,2-4H3,(H,22,23) |
| InChIKey | YHNWRENETFFAOQ-UHFFFAOYSA-N |
| SMILES | C1(C2C(C3=C(C=C(C(=C)C)C=C3)CC2)(CCC1O)C)(C(=O)O)C |