Account 5-((3AS,4R,5R,6aS,E)-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid
- Catalog No. :
- ACESDP728
- CAS No. :
- 74843-14-4
- Molecular Formula :
- C22H32O4
- Molecular Weight :
- 360.49
IUPAC Name:5-((3aS,4R,5R,6aS,E)-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid
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Product Information
| Product Name | 5-((3AS,4R,5R,6aS,E)-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid |
|---|---|
| IUPAC Name | 5-((3aS,4R,5R,6aS,E)-5-hydroxy-4-((3S,4S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.49 |
| SMILES | O=C(O)CCC/C=C1C[C@@]2([H])C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H](C)CC#CC)[C@@]2([H])C\1 |
| InChI Key | HIFJCPQKFCZDDL-ITQKTNNISA-N |
| Synonym | 16(S)-Iloprost;HIFJCPQKFCZDDL-ITQKTNNISA-N;Pentanoic acid, 5-[(3aS,4R,5R,6aS)-hexahydro-5-hydroxy-4-[(1E,3S,4S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2(1H)-pentalenylidene]-, (5E)-;16(S) Iloprost,16(S)Iloprost;Iloprost Impurity 1 |
| CAS No. | 74843-14-4 |
Synthetic Route by SureRoute
2. ACESDP728 Molecular Building Block Synthetic Route
(E)-5-((3aS,4R,5R,6aS)-5-Hydroxy-4-((3S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid
5-((3aS,4R,5R,6aS,E)-5-hydroxy-4-((3R,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoic acid
16(R)-Iloprost