Identidade

Selamectin impurity B

Não indicado · C43H63NO11

01Identidade

Lazychem ID	LC-34504
CAS RN	Não indicado
PubChem CID	137698369
Molecular formula	C43H63NO11
Molecular weight	770.0 g/mol
IUPAC name	(1R,4S,5'S,6R,6'S,8R,10Z,12S,13S,14Z,20R,21E,24S)-6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
InChIKey	AFJYYKSVHJGXSN-MDEFGXNCSA-N

02Estrutura e estereoquímica

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

The parsed structure contains 7 rings, includes aliphatic carbon, has 14 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	14
Ring count	7
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(\[C@H]([C@H](/C=C\C=C4CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N\O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)/C)O[C@@H]1C7CCCCC7
InChI	Não indicado

03Stereochemistry

The published structure contains 14 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres14Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16,384Before 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.