Ursodeoxycholic Acid EP Impurity E

01Identita

Lazychem ID	LC-30435
CAS RN	83-44-3
PubChem CID	222528
Molecular formula	C24H40O4
Molecular weight	392.57 g/mol
IUPAC name	3α,12α-Dihydroxy-5β-cholanic Acid
InChIKey	KXGVEGMKQFWNSR-LLQZFEROSA-N

02Štruktúra a stereochémia

Two-dimensional chemical structure of Ursodeoxycholic Acid EP Impurity E, CAS 83-44-3 — 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 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	10
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI	Neuvedené

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 1,024Before symmetry reduction

Published same-connectivity configurations

6 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.

CAS 83-44-3

KXGVEGMKQFWNSR-LLQZFEROSA-N

Current configuration