Acrocinonide
[CAS# 28971-58-6]

Identification

• Name: Acrocinonide
• Synonyms: 9-Fluoro-11Beta,16Alpha,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione Cyclic 16,17-Acetal With Acrolein; Acrocinonid; Acrocinonida
• Molecular Formula: C₂₄H₂₉FO₆
• Molecular Weight: 432.49
• CAS Registry Number: 28971-58-6
• SMILES: [C@]12(OC(O[C@@H]1CC3C2(CC(O)C4(F)C3CCC5=CC(=O)C=CC45C)C)C=C)C(=O)CO
• InChI: 1S/C24H29FO6/c1-4-20-30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,2)23(15,25)17(28)11-22(16,3)24(19,31-20)18(29)12-26/h4,7-9,15-17,19-20,26,28H,1,5-6,10-12H2,2-3H3/t15?,16?,17?,19-,20?,21?,22?,23?,24-/m1/s1
• InChIKey: JGSKXHVNDZFORI-BREAVPFCSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 580.351°C at 760 mmHg (Cal.)
• Flash point: 304.785°C (Cal.)