Identita

Prednisolone Impurity 26

Neuvedeno · C25H30O8

01Identita

Lazychem ID	LC-51638
CAS RN	Neuvedeno
PubChem CID	196746
Molecular formula	C25H30O8
Molecular weight	458.5 g/mol
IUPAC name	4-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
InChIKey	IMWBZDUOZWSUQI-GPLOUCPESA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Prednisolone Impurity 26 — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]12CC(=O)C3C(C1CC[C@@]2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=C[C@]34C
InChI	Neuvedeno

03Stereochemistry

The published structure contains 3 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres3Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 64Before 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.