Avermectin A1a, 5-O-demethyl-26-hydroxy-
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-22'-(hydroxymethyl)-3,11',13'-trimethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
Also Known As: 4a-Hydroxyavermectin B1|4a-HydroxyavermectinB1|5-O-Demethyl-26-hydroxyavermectin A1a|Avermectin A1a, 5-O-demethyl-26-hydroxy-
| Molecular Formula | C48H72O15 |
|---|---|
| Molecular Weight | 888.4871 g/mol |
| LogP | 4.3498 |
| Topological Polar Surface Area | 190.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 888.4871 |
| Monoisotopic Mass | 888.4871 |
| Heavy Atoms | 63 |
| Complexity | 1744.5277 |
Chemical Identifiers
| CAS Number | 86629-72-3 |
|---|---|
| SMILES | CC[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)CO)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 |
Product Overview
Avermectin A1a, 5-O-demethyl-26-hydroxy- (CAS 86629-72-3), with molecular formula C48H72O15 and molecular weight 888.4871 g/mol. IUPAC: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-22'-(hydroxymethyl)-3,11',13'-trimethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one.
Avermectin A1a, 5-O-demethyl-26-hydroxy- is a custom synthesis product. We offer services from milligram to kilogram scale.
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