| SpectraBase Compound ID | JS4SdCuErwf |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17?,19?,20+/m0/s1 |
| InChIKey | RSWGJHLUYNHPMX-CLPROHDKSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7FNXQMFXLjA |
|---|---|
| Name | Abietinic acid |
| CAS Registry Number | 514-10-3 |
| Classification | Resin acid |
| Comments | Spectrum verified by independent measurements in external laboratories |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17?,19?,20+/m0/s1 |
| InChIKey | RSWGJHLUYNHPMX-CLPROHDKSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 302.458 g/mol |
| Nominal Mass | 302 u |
| Quality | 996 |
| Retention Index | 2473 |
| SMILES | OC([C@]1(C2C([C@@]3(C(=CC2)C=C(CC3)C(C)C)[H])(CCC1)C)C)=O |
| SPLASH | splash10-052f-4920000000-b40b72e093b318e2dd42 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Abietic acid 13-Isopropylpodocarpa-7,13-dien-15-oic acid |
| Technique | GC/MS |
| Wiley ID | DD2024_000014 |