A1ERW
Summary
| Name: | Dehydroabietic Acid |
| Formula: | C20 H28 O2 |
| Formal charge: | 0 |
| Formula weight: | 300.435 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},4~{a}~{S},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,9,10,10~{a}-hexahydrophenanthrene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H28O2/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/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1 |
| InChIKey | InChI | 1.06 | NFWKVWVWBFBAOV-MISYRCLQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc2c(c1)CCC3C2(CCCC3(C)C(=O)O)C |
