Neoquassin
(1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.5 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.1 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 76-77-7 |
|---|---|
| SMILES | CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC |
| InChIKey | BDQNCUODBJZKIY-NUPPOKJBSA-N |
📖 Product Overview
Neoquassin (CAS: 76-77-7) is a chemical compound with molecular formula C22H30O6 and molecular weight 390.5 g/mol. Its IUPAC systematic name is (1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione.
BDQNCUODBJZKIY-NUPPOKJBSA-N.
SMILES: CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC.
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