Showing Metabocard for 17alpha-hydroxypregn-4-en-3,11,20-trione-21-al (BASm0006588)
| Common Name | 17alpha-hydroxypregn-4-en-3,11,20-trione-21-al |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C21H26O5 |
| Average Mass | 358.43400 |
| Monoisotopic Mass | 358.17802 |
| 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]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C=O |
| InChI Identifier | InChI=1S/C21H26O5/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/h9,11,14-15,18,26H,3-8,10H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 |
| InChI Key | DJLICGGNASJAQR-ZPOLXVRWSA-N |
| CHEBI ID | CHEBI:78596 |
| HMDB ID | HMDB0185107 |
| 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 |