Identità

Selamectin EP Impurity A

CAS 165108-08-7 · C43H63NO12

01Identità

Lazychem IDLC-27853
CAS RN165108-08-7
PubChem CID177832429
Molecular formulaC43H63NO12
Molecular weight785.98 g/mol
IUPAC name(2aE,2′R,4E,4′S,5′S,6S,6′R,7S,8E,11R,15S,17aR,20Z,- 20aR,20bS)-6′-cyclohexyl-7-[(2,6-dideoxy-3- O-methyl-α-L-arabino-hexopyranosyl)oxy]- 4′,20b-dihydroxy-20-(hydroxyimino)-5′,6,8,19- tetramethyl-3′,4′,5′,6,6′,7,10,11,14,15,17a,20,20a,20btetradecahydrospiro[ 2H,17H-11,15-methanofuro[4,3,2- pq][2,6]benzodioxacyclooctadecine-13,2′-pyran]-17-one ((5Z,21R,23S,25R)-25-cyclohexyl-4′-O-de(2,6-dideoxy- 3-O-methyl-α-L-arabino-hexopyranosyl)-5-demethoxy- 25-de(1-methylpropyl)-22,23-dihydro-23-hydroxy-5- (hydroxyimino)avermectin A1a)
InChIKeyHRNOLMYFZJDHDZ-NLUIHUFSSA-N

02Struttura u stereokimika

2D structurePubChem CID 177832429
Two-dimensional chemical structure of Selamectin EP Impurity A, CAS 165108-08-7
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 15 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres15
Ring count7
Secondary amines0
Tertiary amines0
SMILESC[C@H]1/C=C/C=C2CO[C@H]\3[C@@]2([C@@H](C=C(/C3=N/O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O)OC)\C)O[C@]6(C4)C[C@@H]([C@@H]([C@H](O6)C7CCCCC7)C)O)O
InChIMhux elenkat

03Stereochemistry

The published structure contains 15 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres15Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32,768Before 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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status fl-Indja

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Ismijiet u relazzjonijiet

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Selamectin

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  • Selamectin EP Impurity A
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