Beraprost Impurity 63
methyl 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
Also Known As: Beraprost Impurity 7|Beraprost Impurity 63|Beraprost Impurity 64|J1.025.921E|(1R,2R,3aS,8bS)-1-[(1E,3S)-3-Hydroxy-4-methyl-1-octene-6-ynyl]-2-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-butanoic acid methyl ester|1H-Cyclopenta[b]benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro- 2-hydroxy-1-[(1E,3R)-3-hydroxy-4-methyl-1-octen-6-ynyl]-, methyl ester, (1S,2S,3aR,8bR)-rel-|Methyl 4-((1R,2R,3aS,8bS)-2-hydroxy-1-((3S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoate|methyl 4-[(2S,3R,4R,6S)-4-hydroxy-3-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-9-yl]butanoate
| Molecular Formula | C25H32O5 |
|---|---|
| Molecular Weight | 412.22498 g/mol |
| LogP | 3.3743 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.22498 |
| Monoisotopic Mass | 412.22498 |
| Heavy Atoms | 30 |
| Complexity | 833.67615 |
Chemical Identifiers
| CAS Number | 943544-75-0 |
|---|---|
| SMILES | CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)OC)O)O |
Product Overview
Beraprost Impurity 63 (CAS 943544-75-0), with molecular formula C25H32O5 and molecular weight 412.22498 g/mol. IUPAC: methyl 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate.