2D structurePubChem CID 5753
Identità
Corticosterone
CAS 50-22-6 · C21H30O4
01Identità
| Lazychem ID | LC-100612 |
|---|---|
| CAS RN | 50-22-6 |
| PubChem CID | 5753 |
| Molecular formula | C21H30O4 |
| Molecular weight | 346.5 g/mol |
| IUPAC name | (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| InChIKey | OMFXVFTZEKFJBZ-HJTSIMOOSA-N |
02Struttura e stereochimica
2D structurePubChem CID 5753
The parsed structure contains 4 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 7 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O |
|---|---|
| InChI | Non indicato |
03Stereochemistry
The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres7Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Stato in India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomi e relazioni
API e farmaco progenitore
Non indicato
Nomi e relazioni
- CORTICOSTERONE
- 50-22-6
- 17-Deoxycortisol
- Reichstein's substance H
- Kendall's compound B
- Corticosteron
- 11beta,21-Dihydroxyprogesterone
- (11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione
- 11Beta,21-dihydroxypregn-4-ene-3,20-dione
- NSC-9705
- 11beta,21-Dihydroxy-4-pregnene-3,20-dione
- 4-Pregnene-11beta,21-diol-3,20-dione
06Fonti
- S01PubChem CID 5753
Structure and machine-readable chemical identifiers.