| SpectraBase Spectrum ID |
BbNjYdTGUzr |
| Name |
Abietinic acid |
| CAS Registry Number |
514-10-3 |
| Classification |
Resin acid |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); 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 |
997 |
| Retention Index |
2473 |
| SMILES |
OC([C@]1(C2C([C@@]3(C(=CC2)C=C(CC3)C(C)C)[H])(CCC1)C)C)=O |
| SPLASH |
splash10-0kac-4910000000-f29994399fabec8a22b9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Abietic acid
13-Isopropylpodocarpa-7,13-dien-15-oic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007455 |
