Identita

Cholic Acid Impurity 45

Neuvedeno · C24H38O4

01Identita

Lazychem ID	LC-40521
CAS RN	Neuvedeno
PubChem CID	53698932
Molecular formula	C24H38O4
Molecular weight	390.6 g/mol
IUPAC name	(4R)-4-[(8R,9S,10R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKey	BSNCZSKCISVTHY-PABIWREHSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Cholic Acid Impurity 45 — 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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
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(C[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)O)C
InChI	Neuvedeno

03Stereochemistry

The published structure contains 7 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres2Structure 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.