2D structurePubChem CID 91810655
Identidad
Drospirenone acid
No indicado · C24H32O4
01Identidad
| Lazychem ID | LC-36759 |
|---|---|
| CAS RN | No indicado |
| PubChem CID | 91810655 |
| Molecular formula | C24H32O4 |
| Molecular weight | 384.5 g/mol |
| IUPAC name | 3-[(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-15-hydroxy-10,14-dimethyl-7-oxo-15-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-enyl]propanoic acid |
| InChIKey | LHTVRHFTKRJEQF-HXCATZOESA-N |
02Estructura y estereoquímica
2D structurePubChem CID 91810655
| SMILES | C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5(CCC(=O)O)O)C |
|---|---|
| InChI | No indicado |
03Stereochemistry
The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres10Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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.
04Estado en India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nombres y relaciones
API y fármaco de origen
No indicado
Nombres y relaciones
06Fuentes
- S01PubChem CID 91810655
Structure and machine-readable chemical identifiers.