6alpha-Acetoxypicrasine B
[(1S,2S,4S,6R,7S,8R,9S,13R,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-en-8-yl] acetate
Also Known As: 6alpha-Acetoxypicrasine B|KST-1A0534|(2|A,6|A)-2-hydroxy-12-methoxy-1,11,16-trioxopicras-12-en-6-yl acetate|(2alpha,6alpha)-2-hydroxy-12-methoxy-1,11,16-trioxopicras-12-en-6-yl acetate|2-Hydroxy-12-methoxy-1,11,16-trioxopicras-12-en-6-yl acetate|2alpha-Hydroxy-12-methoxy-1,11,16-trioxopicras-12-en-6alpha-yl acetate
| Molecular Formula | C23H30O8 |
|---|---|
| Molecular Weight | 434.19406 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.19406 |
| Monoisotopic Mass | 434.19406 |
| Heavy Atoms | 31 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 110577-62-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1[C@H]([C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)OC(=O)C)C)O |
| InChIKey | MFAGEVKKELTUPJ-VNLLJZBQSA-N |
Product Overview
6alpha-Acetoxypicrasine B (CAS 110577-62-3), with molecular formula C23H30O8 and molecular weight 434.19406 g/mol. IUPAC: [(1S,2S,4S,6R,7S,8R,9S,13R,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-en-8-yl] acetate.