化学标识

Ciclesonide-Impurity 1F4

未列出 · C28H38O6

01化学标识

Lazychem ID	LC-46376
CAS RN	未列出
PubChem CID	11202231
Molecular formula	C28H38O6
Molecular weight	470.6 g/mol
IUPAC name	(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
InChIKey	OXPLANUPKBHPMS-FMIHUGCCSA-N

02结构与立体化学

Two-dimensional chemical structure of Ciclesonide-Impurity 1F4 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	9
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O
InChI	未列出

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

3 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.