Aitheantas

Roxithromycin Impurity F

Gan liostú · C40H74N2O15

01Aitheantas

Lazychem ID	LC-37849
CAS RN	Gan liostú
PubChem CID	72352414
Molecular formula	C40H74N2O15
Molecular weight	823.0 g/mol
IUPAC name	14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
InChIKey	HVLDACGFXJHOFG-UHFFFAOYSA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of Roxithromycin Impurity F — 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. These statements are calculated from the published structure string.

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

SMILES	CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)O)C)C)O)(C)O
InChI	Gan liostú

03Stereochemistry

The published structure contains 0 defined and 18 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres18Structure unspecified

Assignment statusUnassignedExact 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.