Ataprost
(5E)-5-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Also Known As: Ataprost|Ataprostum|Ataprost [INN]|Ataprost alfadex|Ataprostum [INN-Latin]|Ono-41483|Ono 41483|ATAPROST ALFADEX [JAN]|OP 41483|15-cyclopentyl-omega-pentanor-5(E)-carbacyclin|(5E)-5-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid|Pentanoic acid, 5-(4-(3-cyclopentyl-3-hydroxy-1-propenyl)hexahydro-5-hydroxy-2(1H)-pentalenylidene)-, (3aS-(2E,3aalpha,4alpha(1E,3R*),5beta,6aalpha))-|ONO 41483, 3aS-(3aalpha,4alpha(1E,3R*),5beta,6aalpha)-isomer|(+)-(2E,3aS,4R,5R,6aS)-4-((1E,3S)-3-Cyclopentyl-3-hydroxypropenyl)-3,3a,4,5,6,6a-hexahydro-5-hydroxy-delta(sup 2(1H),delta)-pentalenevaleric acid|(5E)-5-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxypro|(5Z)-5-[(3As,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid|(+)-(2E,3AS,4R,5R,6AS)-4-((1E,3S)-3-CYCLOPENTYL-3-HYDROXYPROPENYL)-3,3A,4,5,6,6A-HEXAHYDRO-5-HYDROXY-.DELTA.(SUP 2(1H),.DELTA.)-PENTALENEVALERIC ACID|5-[(2E,3aS,4R,5R,6aS)-4-[(1E,3S)-3-cyclopentyl-3-hydroxyprop-1-en-1-yl]-5-hydroxy-octahydropentalen-2-ylidene]pentanoic acid|5-[(2E,3aS,6abeta)-4beta-[(1E,3S)-3-Cyclopentyl-3-hydroxy-1-propenyl]octahydro-5alpha-hydroxypentalen-2-ylidene]pentanoic acid|5-[(3aS,4R,5R,6aS)-4-[(1E,3S)-3-cyclopentyl-3-hydroxyprop-1-en-1-yl]-5-hydroxy-octahydropentalen-2-ylidene]pentanoic acid|5-[[(3aS)-5alpha-Hydroxy-4beta-[(3S,E)-3-cyclopentyl-3-hydroxy-1-propenyl]-1,2,3,3abeta,4,5,6,6abeta-octahydropentalen]-2-ylidene]valeric acid
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23007 g/mol |
| LogP | 3.682 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.23007 |
| Monoisotopic Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 517.9891 |
Chemical Identifiers
| CAS Number | 83997-19-7 |
|---|---|
| SMILES | C1CCC(C1)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2C/C(=C/CCCC(=O)O)/C3)O)O |
Product Overview
Ataprost (CAS 83997-19-7), with molecular formula C21H32O4 and molecular weight 348.23007 g/mol. IUPAC: (5E)-5-[(3aS,4R,5R,6aS)-4-[(E,3S)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid.
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