selamectin
(1R,4S,5'S,6R,6'S,8R,12S,13S,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
Also Known As: selamectin
| Molecular Formula | C43H63NO11 |
|---|---|
| Molecular Weight | 769.4401 g/mol |
| LogP | 6.0698 |
| Topological Polar Surface Area | 154.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 769.4401 |
| Monoisotopic Mass | 769.4401 |
| Heavy Atoms | 55 |
| Complexity | 1549.9521 |
Chemical Identifiers
| CAS Number | 220119-17-5 |
|---|---|
| SMILES | C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=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 |
Product Overview
selamectin (CAS 220119-17-5), with molecular formula C43H63NO11 and molecular weight 769.4401 g/mol. IUPAC: (1R,4S,5'S,6R,6'S,8R,12S,13S,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.
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