Showing Metabocard for chondrochloren B (BASm0008287)
| Common Name | Chondrochloren b |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C28H42ClNO7 |
| Average Mass | 540.09000 |
| Monoisotopic Mass | 539.26498 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N/C=C\c1ccc(O)c(Cl)c1 |
| InChI Identifier | InChI=1S/C28H42ClNO7/c1-7-9-10-17(3)24(32)19(5)25(33)18(4)15-23(36-6)26(34)27(37-8-2)28(35)30-14-13-20-11-12-22(31)21(29)16-20/h11-17,19,23-24,26-27,31-32,34H,7-10H2,1-6H3,(H,30,35)/b14-13-,18-15+/t17-,19+,23-,24+,26-,27-/m1/s1 |
| InChI Key | BIBQKWSSQXEIHK-IRFDLBBPSA-N |
| CHEBI ID | CHEBI:132442 |
| MiMeDB ID | MMDBc0013335 |
| 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 |