Showing Metabocard for deacetylpyripyropene E (BASm0010979)
| Common Name | Deacetylpyripyropene e |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C25H31NO4 |
| Average Mass | 409.52600 |
| Monoisotopic Mass | 409.22531 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3Cc4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)CC[C@@H]12 |
| InChI Identifier | InChI=1S/C25H31NO4/c1-23(2)19-7-10-25(4)20(24(19,3)9-8-21(23)27)12-16-18(30-25)13-17(29-22(16)28)15-6-5-11-26-14-15/h5-6,11,13-14,19-21,27H,7-10,12H2,1-4H3/t19-,20+,21-,24-,25+/m0/s1 |
| InChI Key | HOWVEDNNRUDLMG-XVFVLVJGSA-N |
| CHEBI ID | CHEBI:149710 |
| MiMeDB ID | MMDBc0055886 |
| 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 |