Ciprostene (calcium salt)
calcium bis(5-[(3aS,4S,5S,6aR)-5-hydroxy-4-[(3R)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoate)
Also Known As: Ciprostene (calcium salt)|CTK8F8669
| Molecular Formula | C44H70CaO8 |
|---|---|
| Molecular Weight | 766.46967 g/mol |
| LogP | 5.87 |
| Topological Polar Surface Area | 161.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 766.46967 |
| Heavy Atoms | 53 |
| Complexity | 1149.6 |
Chemical Identifiers
| CAS Number | 81703-55-1 |
|---|---|
| SMILES | CCCCC[C@H](C=C[C@H]1[C@@H]2CC(=CCCCC(=O)[O-])C[C@@]2(C[C@@H]1O)C)O.CCCCC[C@H](C=C[C@H]1[C@@H]2CC(=CCCCC(=O)[O-])C[C@@]2(C[C@@H]1O)C)O.[Ca+2] |
Product Overview
Ciprostene (calcium salt) (CAS 81703-55-1), with molecular formula C44H70CaO8 and molecular weight 766.46967 g/mol. IUPAC: calcium bis(5-[(3aS,4S,5S,6aR)-5-hydroxy-4-[(3R)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoate).
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