3-Acetyltylosin
[(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
Also Known As: 3-Acetyltylosin|3-Acetyl tylosin|Tylosin, 3-acetate|3-O-Acetyltylosin|[(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
| Molecular Formula | C48H79NO18 |
|---|---|
| Molecular Weight | 957.5297 g/mol |
| LogP | 2.4043 |
| Topological Polar Surface Area | 244.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Exact Mass | 957.5297 |
| Monoisotopic Mass | 957.5297 |
| Heavy Atoms | 67 |
| Complexity | 1674.2578 |
Chemical Identifiers
| CAS Number | 63409-10-9 |
|---|---|
| SMILES | CCC1C(/C=C(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)OC(=O)C)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)COC4C(C(C(C(O4)C)O)OC)OC |
Product Overview
3-Acetyltylosin (CAS 63409-10-9), with molecular formula C48H79NO18 and molecular weight 957.5297 g/mol. IUPAC: [(11E,13E)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate.