| SpectraBase Compound ID | KHwSWkNHjJO |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1 |
| InChIKey | ILQLITDRYFHAGM-NSISKUIASA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IYj506AIM58 |
|---|---|
| Name | 15-hydroxy-dehydro-abietic acid |
| CAS Registry Number | 54113-95-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20-/m1/s1 |
| InChIKey | ILQLITDRYFHAGM-NSISKUIASA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | OC([C@]1([C@]2([C@@](c3ccc(C(O)(C)C)cc3CC2)(CCC1)C)[H])C)=O |
| SPLASH | splash10-0udi-0359000000-1f324bdcf6733252f58b |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 740052 |