| CAS Number | 181528-64-3 |
| Catalog Number | AG00AD7X(AGN-PC-0QC1PA) |
| Chemical Name | (3AS,4R,6aS,7R,8S,10S,10aR)-8-methoxy-4,7-dimethyloctahydro-2H,10H-furo[3,2-i]isochromen-10-yl acetate |
| IUPAC Name | [(3aS,4R,6aS,7R,8S,10R,10aR)-8-methoxy-4,7-dimethyl-2,3,3a,4,5,6,6a,7,8,10-decahydrofuro[3,2-i]isochromen-10-yl] acetate |
| InChI | InChI=1S/C16H26O5/c1-9-5-6-13-10(2)14(18-4)21-15(20-11(3)17)16(13)12(9)7-8-19-16/h9-10,12-15H,5-8H2,1-4H3/t9-,10-,12+,13+,14+,15+,16-/m1/s1 |
| InChI Key | PJRDDUABDHLSPP-QYHITDJBSA-N |
| MDL Number | MFCD28143532 |
| Molecular Formula | C16H26O5 |
| Molecular Weight | 298.3746 |
| SMILES | C(C)(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]2CC[C@H]([C@H]3[C@]12OCC3)C)C)OC |
| Synonyms | Artemether Impurity C,
181528-64-3,
9alpha-Acetoxy-10beta-methoxyartemethin I,
Artemether Tetrahydrofuran Acetate,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.379g/mol |
| Monoisotopic Mass | 298.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number