Ciprostene (calcium salt) structure

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

CAS: 81703-55-1
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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