Nomilin
[(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate
| Molecular Formula | C28H34O9 |
|---|---|
| Molecular Weight | 514.6 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 122.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 514.2203 |
| Heavy Atoms | 37 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 1063-77-0 |
|---|---|
| SMILES | CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C |
| InChIKey | KPDOJFFZKAUIOE-WNGDLQANSA-N |
📖 Product Overview
Nomilin (CAS: 1063-77-0) is a chemical compound with molecular formula C28H34O9 and molecular weight 514.6 g/mol. Its IUPAC systematic name is [(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate.
KPDOJFFZKAUIOE-WNGDLQANSA-N.
SMILES: CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C.
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