Showing Metabocard for (6aS,11aS)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan (BASm0002334)
| Common Name | (6as,11as)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C20H20O5 |
| Average Mass | 340.13110 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | 77979-21-6 |
| SMILES | CC(C)=CCc1c(O)ccc2c1OC[C@@]1(O)c3ccc(O)cc3O[C@@H]21 |
| InChI Identifier | InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3 |
| InChI Key | NLHMQOCIFRDSNU-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:50036 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |