Identitet

Dexamethasone Impurity 118

Ikke angivet · C23H31FO5

01Identitet

Lazychem ID	LC-44055
CAS RN	Ikke angivet
PubChem CID	14749451
Molecular formula	C23H31FO5
Molecular weight	406.5 g/mol
IUPAC name	(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-methoxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
InChIKey	CNBXSWVTTSYJSE-HOGMHMTRSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Dexamethasone Impurity 118 — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC)O)C)O)F)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.