Showing Metabocard for pregn-4-ene-3,11,20,21-tetraone (BASm0006593)
| Common Name | Pregn-4-ene-3,11,20,21-tetraone |
|---|---|
| Description | A C21-steroid that is progesterone carrying two additional oxo substituents at positions 11 and 21 |
| Structure | |
| Molecular Formula | C21H26O4 |
| Average Mass | 342.42870 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C=O |
| InChI Identifier | InChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-16,19H,3-8,10H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1 |
| InChI Key | GWUQLPRDKICNSB-KJQYFISQSA-N |
| CHEBI ID | CHEBI:78601 |
| 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 |