Showing Metabocard for 11beta,17alpha-dihydroxypregn-4-ene-3,20,21-trione (BASm0006587)
| Common Name | 11beta,17alpha-dihydroxypregn-4-ene-3,20,21-trione |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C21H28O5 |
| Average Mass | 360.45000 |
| Monoisotopic Mass | 360.19367 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C=O |
| InChI Identifier | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,11,14-16,18,24,26H,3-8,10H2,1-2H3/t14-,15-,16?,18+,19-,20-,21+/m0/s1 |
| InChI Key | JIELFMXLFHFDRT-MYZJSJAOSA-N |
| CHEBI ID | CHEBI:78595 |
| HMDB ID | HMDB0155055 |
| 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 |