Identidad

Abiraterone Impurity 54

No indicado · C25H33NO

01Identidad

Lazychem ID	LC-33951
CAS RN	No indicado
PubChem CID	149847113
Molecular formula	C25H33NO
Molecular weight	363.5 g/mol
IUPAC name	3-[(3S,8R,9S,10R,13S,14S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine
InChIKey	BWJSTRWOPPBMEX-ABVATSDPSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Abiraterone Impurity 54 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)OC
InChI	No indicado

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

1 record

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.