Showing Metabocard for (+)-dehydrodiconiferyl acid carboxylate (BASm0008163)
| Common Name | (+)-dehydrodiconiferyl acid carboxylate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C20H18O8 |
| Average Mass | 386.35600 |
| Monoisotopic Mass | 386.10017 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1cc([C@H]2Oc3c(OC)cc(/C=C/C(=O)[O-])cc3[C@@H]2C(=O)[O-])ccc1O |
| InChI Identifier | InChI=1S/C20H18O8/c1-26-14-9-11(4-5-13(14)21)18-17(20(24)25)12-7-10(3-6-16(22)23)8-15(27-2)19(12)28-18/h3-9,17-18,21H,1-2H3,(H,22,23)(H,24,25)/b6-3+/t17-,18+/m0/s1 |
| InChI Key | JTHPLBUVRLOJBB-KCILRPRFSA-N |
| CHEBI ID | CHEBI:131935 |
| 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 |