Chemical Component Summary | |
|---|---|
| Name | Abietic acid |
| Identifiers | (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
| Formula | C20 H30 O2 |
| Molecular Weight | 302.451 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C |
| 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-ONCXSQPRSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 52 |
| Chiral Atom Count | 4 |
| Bond Count | 54 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 10569 |
| ChEMBL | CHEMBL71893 |
| ChEBI | CHEBI:28987 |
| CCDC/CSD | YAWMOY10 |
