2D structurePubChem CID 12304601
Identità
Testosterone-2,3,4-13C3
CAS 327048-83-9 · C19H28O2
01Identità
| Lazychem ID | LC-29312 |
|---|---|
| CAS RN | 327048-83-9 |
| PubChem CID | 12304601 |
| Molecular formula | C19H28O2 |
| Molecular weight | 291.40 g/mol |
| IUPAC name | 8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| InChIKey | MUMGGOZAMZWBJJ-KRMLYXHASA-N |
02Struttura e stereochimica
2D structurePubChem CID 12304601
The parsed structure contains 4 rings, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.
| Defined stereocentres | 6 |
|---|---|
| Ring count | 4 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=[13CH][13C](=O)[13CH2]C[C@]34C |
|---|---|
| InChI | Non indicato |
03Stereochemistry
The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction
Published same-connectivity configurations
3 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.
2D structurePubChem CID 45040472
(17beta)-17-Hydroxy(16,16,17-2H3)androst-4-en-3-one
CAS not listed
MUMGGOZAMZWBJJ-HZRGXLBSSA-N
6 defined, 0 unassigned centres
2D structurePubChem CID 10204
Testosterone EP Impurity C / Testosterone Related Compond C / 17-Epi Testosterone / Cis-Testosterone / Epitestosterone
CAS 481-30-1
MUMGGOZAMZWBJJ-KZYORJDKSA-N
6 defined, 0 unassigned centres
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
Testosterone
Impurezze e composti correlatiNomi e relazioni
- Testosterone-13c3
06Fonti
- S01PubChem CID 12304601
Structure and machine-readable chemical identifiers.