Neo Spiramycin I
2-[(4R,5S,6S,7R,9R,10R,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Also Known As: Neo Spiramycin I
| Molecular Formula | C36H62N2O11 |
|---|---|
| Molecular Weight | 698.43536 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 698.43536 |
| Monoisotopic Mass | 698.43536 |
| Heavy Atoms | 49 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 70253-62-2 |
|---|---|
| SMILES | C[C@@H]1CC=CC=C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)O[C@H]3CC[C@@H]([C@H](O3)C)N(C)C |
| InChIKey | SUBWVHAACKTENX-OMFXSZDXSA-N |
Product Overview
Neo Spiramycin I (CAS 70253-62-2), with molecular formula C36H62N2O11 and molecular weight 698.43536 g/mol. IUPAC: 2-[(4R,5S,6S,7R,9R,10R,16R)-6-[(2S,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde.
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