HuagongsheHuagongshe Chemistry Print Report · For research reference only
(4balpha,10beta)-7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10-carboxylic acid
Allogibberic acid · (4bα)-7-Hydroxy-1-methyl-8-methylenegibba-1,3,4a(10a)-triene-10β-carboxylic acid · Gibba-1,3,4a(10a)-triene-10-carboxylic acid, 7-hydroxy-1-methyl-8-methylene-, (4bα,10β)-
Identifiers & Physical Properties
| CAS No. | 427-79-2 |
|---|---|
| Molecular formula | C18H20O3 |
| Average molar mass | 284.3 g/mol |
| Monoisotopic mass | 284.1412445 g/mol |
| SMILES | C=C1C[C@]23C[C@@]1(O)CC[C@@H]2c1cccc(C)c1[C@@H]3C(=O)O |
| InChIKey | IFYWTLQMNWNCFH-WCZJQEMASA-N |
| PubChem CID | 442001 |
| ChEMBL | CHEMBL2359602 |
| ChEBI | CHEBI:2598 |
| DTXSID | DTXSID30331713 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 57.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 513 |