Tunnistetiedot

Clarithromycin impurity 24

Ei ilmoitettu · C38H69NO13

01Tunnistetiedot

Lazychem ID	LC-36804
CAS RN	Ei ilmoitettu
PubChem CID	91274974
Molecular formula	C38H69NO13
Molecular weight	748.0 g/mol
IUPAC name	(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,4R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4S,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
InChIKey	AGOYDEPGAOXOCK-QCIBYOPCSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Clarithromycin impurity 24 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 15 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	15
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@]([C@H](C(O2)C)O)(C)OC)C)O[C@H]3C([C@@H](CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 15 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres15Structure assigned

Unassigned centres3Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 262,144Before 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.