Identitet

Avermectin B1a

CAS 65195-55-3 · C48H72O14

01Identitet

Lazychem IDLC-07218
CAS RN65195-55-3
PubChem CID6434889
Molecular formulaC48H72O14
Molecular weight873.08 g/mol
IUPAC name5-O-Demethylavermectin A1a
InChIKeyRRZXIRBKKLTSOM-XPNPUAGNSA-N

02Struktura i stereokemija

2D structurePubChem CID 6434889
Two-dimensional chemical structure of Avermectin B1a, CAS 65195-55-3
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 20 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres20
Ring count7
Secondary amines0
Tertiary amines0
SMILESCC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
InChINije navedeno

03Stereochemistry

The published structure contains 20 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres20Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,048,576Before symmetry reduction

Published same-connectivity configurations

3 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.

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 u Indiji

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

05Nazivi i povezanosti

API i matični lijek

Ivermectin

Nečistoće i srodni spojevi

Nazivi i povezanosti

  • Avermectin B1a
  • Abamectin B1a
  • 5-O-demethylavermectin A1a

Nečistoće i srodni spojevi

06Izvori