Showing Metabocard for aurachin C epoxide (BASm0008003)
| Common Name | Aurachin c epoxide |
|---|---|
| Description | An epoxide resulting from the oxidation of the double bond at the 2-3 position of aurachin C. |
| Structure | |
| Molecular Formula | C25H33NO3 |
| Average Mass | 395.53500 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC12OC1(C)N(O)c1ccccc1C2=O |
| InChI Identifier | InChI=1S/C25H33NO3/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-25-23(27)21-14-6-7-15-22(21)26(28)24(25,5)29-25/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+ |
| InChI Key | FORHHPRBEFTLRM-YEFHWUCQSA-N |
| CHEBI ID | CHEBI:90889 |
| 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 | 0 |
| Polarizability | Not Available |