Punaglandin 1
methyl (5S,6R,7R)-5,6,7-triacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]heptanoate
Also Known As: punaglandin 1|(+)-Punaglandin 1|PY99B|methyl (5S,6R,7R)-5,6,7-triacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]heptanoate|methyl 5S,6R,7R-triacetoxy-9-oxo-10-chloro-12S-hydroxy-10Z,14Z,17Z-prostatrienoate-cyclo[8R,12S]|(5S,6R,7R,14Z,17Z)-5,6,7-Triacetoxy-10-chloro-12-hydroxy-9-oxoprosta-10,14,17-trien-1-oic acid methyl ester|methyl (5S,6R,7R)-5,6,7-triacetyloxy-7-((1R,2S)-4-chloro-2-hydroxy-2-((2Z,5Z)-octa-2,5-dienyl)-5-oxocyclopent-3-en-1-yl)heptanoate|methyl (5S,6R,7R)-5,6,7-tris(acetyloxy)-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dien-1-yl]-5-oxocyclopent-3-en-1-yl]heptanoate
| Molecular Formula | C27H37ClO10 |
|---|---|
| Molecular Weight | 556.2075 g/mol |
| LogP | 3.4801 |
| Topological Polar Surface Area | 142.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 556.2075 |
| Monoisotopic Mass | 556.2075 |
| Heavy Atoms | 38 |
| Complexity | 953.505 |
Chemical Identifiers
| CAS Number | 96055-63-9 |
|---|---|
| SMILES | CC/C=C\C/C=C\C[C@]1(C=C(C(=O)[C@@H]1[C@H]([C@@H]([C@H](CCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)Cl)O |
Product Overview
Punaglandin 1 (CAS 96055-63-9), with molecular formula C27H37ClO10 and molecular weight 556.2075 g/mol. IUPAC: methyl (5S,6R,7R)-5,6,7-triacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]heptanoate.