Showing Metabocard for yaequinolone C (BASm0012347)
| Common Name | Yaequinolone c |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C27H33NO7 |
| Average Mass | 483.56100 |
| Monoisotopic Mass | 483.22570 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1ccc([C@@]2(O)c3c(ccc(/C=C/C4(C)CCC(C(C)(C)O)O4)c3O)NC(=O)[C@@H]2OC)cc1 |
| InChI Identifier | InChI=1S/C27H33NO7/c1-25(2,31)20-13-15-26(3,35-20)14-12-16-6-11-19-21(22(16)29)27(32,23(34-5)24(30)28-19)17-7-9-18(33-4)10-8-17/h6-12,14,20,23,29,31-32H,13,15H2,1-5H3,(H,28,30)/b14-12+/t20?,23-,26?,27+/m0/s1 |
| InChI Key | UUEDXFOVEZEJLQ-RPJCIHFCSA-N |
| CHEBI ID | CHEBI:193557 |
| MiMeDB ID | MMDBc0011979 |
| State | Expected Solid |
| 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 |