2D structurePubChem CID 3058605
Identität
beta-Yohimbine
Nicht angegeben · C21H26N2O3
01Identität
| Lazychem ID | LC-49548 |
|---|---|
| CAS RN | Nicht angegeben |
| PubChem CID | 3058605 |
| Molecular formula | C21H26N2O3 |
| Molecular weight | 354.4 g/mol |
| IUPAC name | methyl (1S,15R,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| InChIKey | BLGXFZZNTVWLAY-MQPLHJKPSA-N |
02Struktur und Stereochemie
2D structurePubChem CID 3058605
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 5 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | COC(=O)[C@H]1[C@@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
|---|---|
| InChI | Nicht angegeben |
03Stereochemistry
The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction
Published same-connectivity configurations
4 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
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.
04Status in Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Namen und Beziehungen
API und Ausgangsarzneistoff
Nicht angegeben
Namen und Beziehungen
06Quellen
- S01PubChem CID 3058605
Structure and machine-readable chemical identifiers.