| CAS Number | 20287-97-2 |
| Catalog Number | AG00C2CO(AGN-PC-0O78TA) |
| Chemical Name | 21-Dehydrocorticosterone (mixture of the aldehyde and the hydrated form) |
| IUPAC Name | 2-[(8S,9R,10R,11S,13S,14R,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde |
| InChI | InChI=1S/C21H28O4/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/h9,11,14-17,19,24H,3-8,10H2,1-2H3/t14-,15+,16+,17-,19-,20-,21-/m0/s1 |
| InChI Key | DKDACGRLOGBANH-RJOVDCOGSA-N |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.4446 |
| SMILES | C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O |
| Synonyms | 20287-97-2,
21-Dehydrocorticosterone,
21-dehydrocortiicosterone,
|
| Complexity | 665 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.451g/mol |
| Monoisotopic Mass | 344.199g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number