Milbemycin alpha6
[(3'R,4S,5'R,6S,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-3',24-dihydroxy-21-methoxy-5',6',11,13,22-pentamethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylhexanoate
Also Known As: Milbemycin alpha6|Antibiotic B 41B1|[(3'R,4S,5'R,6S,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-3',24-dihydroxy-21-methoxy-5',6',11,13,22-pentamethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylhexanoate|Milbemycin B, 28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)-, (6R,22S,23R,25R)-
| Molecular Formula | C39H58O10 |
|---|---|
| Molecular Weight | 686.403 g/mol |
| LogP | 5.5071 |
| Topological Polar Surface Area | 129.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 686.403 |
| Monoisotopic Mass | 686.403 |
| Heavy Atoms | 49 |
| Complexity | 1334.542 |
Chemical Identifiers
| CAS Number | 56265-07-7 |
|---|---|
| SMILES | CCCCC(C)C(=O)OC1[C@@H]([C@H](O[C@]2([C@@H]1O)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5OC)C)C(=O)O3)O)C)\C)C)C |
Product Overview
Milbemycin alpha6 (CAS 56265-07-7), with molecular formula C39H58O10 and molecular weight 686.403 g/mol. IUPAC: [(3'R,4S,5'R,6S,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-3',24-dihydroxy-21-methoxy-5',6',11,13,22-pentamethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylhexanoate.
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