Azonosítás

Spiramycin EP Impurity B

Nincs megadva · C43H76N2O14

01Azonosítás

Lazychem ID	LC-32914
CAS RN	Nincs megadva
PubChem CID	169446517
Molecular formula	C43H76N2O14
Molecular weight	845.1 g/mol
IUPAC name	(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
InChIKey	IWOBTGVHVXKLCB-CEUOBAOPSA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Spiramycin EP Impurity B — 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 19 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	19
Ring count	4
Secondary amines	0
Tertiary amines	2

SMILES	C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CCO)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C
InChI	Nincs megadva

03Stereochemistry

The published structure contains 19 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres19Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 524,288Before symmetry reduction

Published same-connectivity configurations

1 record

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.