Ciprostene calcium
[CAS# 81703-55-1]

Identification

• Name: Ciprostene calcium
• Synonyms: Calcium (5Z)-5-[(3As,4S,5S,6Ar)-5-Hydroxy-4-[(E,3R)-3-Hydroxyoct-1-Enyl]-6A-Methyl-1,3,3A,4,5,6-Hexahydropentalen-2-Ylidene]Valerate; 9-Beta-Methylcarbacyclin; Calcium (Z)-(3As,5R,6R,6Ar)-Hexahydro-5-Hydroxy-6-((E)-(3S)-3-Hydroxy-1-Octenyl)-3A-Methyl-Delta(Sup 2)(1H),Delta-Pentalenevalerate (1:2)
• Molecular Formula: C₄₄H₇₀CaO₈
• Molecular Weight: 767.11
• CAS Registry Number: 81703-55-1
• SMILES: [C@@H]12[C@@](C[C@H](O)[C@H]1\C=C\[C@H](O)CCCCC)(CC(/C2)=C\CCCC([O-])=O)C.[C@@H]34[C@@](C[C@H](O)[C@H]3\C=C\[C@H](O)CCCCC)(CC(/C4)=C\CCCC([O-])=O)C.[Ca++]
• InChI: 1S/2C22H36O4.Ca/c2*1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24;/h2*8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26);/q;;+2/p-2/b2*12-11+,16-8-;/t2*17-,18+,19+,20+,22-;/m11./s1
• InChIKey: NJTMVDAFPIEZAJ-JJWMDXOMSA-L

Properties

• Boiling point: 514.3°C at 760 mmHg (Cal.)
• Flash point: 278.9°C (Cal.)