Tunnistetiedot

Tibolone EP impurity C

Ei ilmoitettu · C21H28O2

01Tunnistetiedot

Lazychem ID	LC-48134
CAS RN	Ei ilmoitettu
PubChem CID	9818243
Molecular formula	C21H28O2
Molecular weight	312.4 g/mol
IUPAC name	(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKey	WAOKMNBZWBGYIK-WKBNKQBUSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Tibolone EP impurity C — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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@@H]1CC2=CC(=O)CCC2[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 6 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.