Identitet

Methylprednisolone Impurity 93

Ikke angivet · C21H28O4

01Identitet

Lazychem ID	LC-44955
CAS RN	Ikke angivet
PubChem CID	13021276
Molecular formula	C21H28O4
Molecular weight	344.4 g/mol
IUPAC name	(8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
InChIKey	KQZSMOGWYFPKCH-CZUPSRJTSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Methylprednisolone Impurity 93 — 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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
InChI	Ikke angivet

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully 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.