Ciprostene
[CAS# 81845-44-5]

Identification

• Name: Ciprostene
• Synonyms: (5Z)-5-[(3Ar,4R,5R,6As)-5-Hydroxy-4-[(E,3S)-3-Hydroxyoct-1-Enyl]-6A-Methyl-1,3,3A,4,5,6-Hexahydropentalen-2-Ylidene]Valeric Acid
• Molecular Formula: C₂₂H₃₆O₄
• Molecular Weight: 364.52
• CAS Registry Number: 81845-44-5
• SMILES: [C@]12([C@@H]([C@@H](\C=C\[C@H](CCCCC)O)[C@@H](C1)O)CC(/C2)=C/CCCC(O)=O)C
• InChI: 1S/C22H36O4/c1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24/h8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26)/b12-11+,16-8-/t17-,18+,19+,20+,22-/m0/s1
• InChIKey: VKPYUUBEDXIQIB-QBPWRKFFSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 514.3°C at 760 mmHg (Cal.)
• Flash point: 278.924°C (Cal.)