Showing Metabocard for cimicifugate J (BASm0012212)
| Common Name | Cimicifugate j |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C22H22O11 |
| Average Mass | 462.40700 |
| Monoisotopic Mass | 462.11621 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1cc(/C=C/C(=O)O[C@H](C(=O)[O-])[C@](O)(Cc2ccc(O)cc2)C(=O)[O-])cc(OC)c1O |
| InChI Identifier | InChI=1S/C22H22O11/c1-31-15-9-13(10-16(32-2)18(15)25)5-8-17(24)33-19(20(26)27)22(30,21(28)29)11-12-3-6-14(23)7-4-12/h3-10,19,23,25,30H,11H2,1-2H3,(H,26,27)(H,28,29) |
| InChI Key | BTQPTWPZTSYUPW-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:192792 |
| 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 |