Asimicin
(2S)-3-[(2S,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Also Known As: Asimicin|Bullatacin|Rolliniastatin-1|Rolliniastatin-2|Squamocin H|Annonin VI|(2S)-3-[(2S,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one|2(5H)-Furanone, 3-((2R,13R)-2,13-dihydroxy-13-((2R,2'R,5R,5'R)-octahydro-5'-((1R)-1-hydroxyundecyl)(2,2'-bifuran)-5-yl)tridecyl)-5-methyl-, (5S)-|4-[2,13-dihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
| Molecular Formula | C37H66O7 |
|---|---|
| Molecular Weight | 622.48083 g/mol |
| LogP | 7.86 |
| Topological Polar Surface Area | 105.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 622.48083 |
| Heavy Atoms | 44 |
| Complexity | 800.7 |
Chemical Identifiers
| CAS Number | 102989-24-2 |
|---|---|
| SMILES | CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCC[C@@H](CC3=CC(=O)O[C@H]3C)O)O)O |
Product Overview
Asimicin (CAS 102989-24-2), with molecular formula C37H66O7 and molecular weight 622.48083 g/mol. IUPAC: (2S)-3-[(2S,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one.
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