Identiteet

Ciclesonide 22S-Epimer

Pole loetletud · C32H44O7

01Identiteet

Lazychem ID	LC-46150
CAS RN	Pole loetletud
PubChem CID	11387147
Molecular formula	C32H44O7
Molecular weight	540.7 g/mol
IUPAC name	[2-[(1S,2S,4R,6S,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate
InChIKey	LUKZNWIVRBCLON-MDMPFDFKSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Ciclesonide 22S-Epimer — 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	CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@@H](O2)C6CCCCC6
InChI	Pole loetletud

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.