Tożsamość

1,2-Dehydrobudesonide

Nie podano · C25H36O6

01Tożsamość

Lazychem ID	LC-34358
CAS RN	Nie podano
PubChem CID	139025782
Molecular formula	C25H36O6
Molecular weight	432.5 g/mol
IUPAC name	(1S,2S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
InChIKey	UEXJIOHTZFZGOQ-PZETWVICSA-N

02Struktura i stereochemia

Two-dimensional chemical structure of 1,2-Dehydrobudesonide — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CCCC1OC2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@]5([C@H]4[C@H](C[C@@]3(C2(O1)C(=O)CO)C)O)C
InChI	Nie podano

03Stereochemistry

The published structure contains 6 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres3Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 512Before 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.