Identidad

Prednisolone Impurity 61

No indicado · C27H36O9

01Identidad

Lazychem ID	LC-39683
CAS RN	No indicado
PubChem CID	58537101
Molecular formula	C27H36O9
Molecular weight	504.6 g/mol
IUPAC name	[(8S,9S,10R,11S,13S,14S,17R)-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate
InChIKey	JWGPTUXUTSCJHO-AMBHMERGSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Prednisolone Impurity 61 — 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	CCOC(=O)OCC(=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)OC(=O)OCC
InChI	No indicado

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

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.