Identitet

Methylprednisolone Impurity 49

Ikke angivet · C27H36O7

01Identitet

Lazychem ID	LC-44588
CAS RN	Ikke angivet
PubChem CID	13578865
Molecular formula	C27H36O7
Molecular weight	472.6 g/mol
IUPAC name	[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
InChIKey	BSENTXXOTKIMMO-YPYQNWSCSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Methylprednisolone Impurity 49 — 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 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	8
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)OC(=O)C
InChI	Ikke angivet

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 256Before 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.