9,11beta-Dichloro-16alpha,16,21-Trihydroxy-Pregna-1,4-Diene-3,20-Dione Cyclic 16,17-Acetal
[CAS# 3744-50-1]

Identification

• Name: 9,11beta-Dichloro-16alpha,16,21-Trihydroxy-Pregna-1,4-Diene-3,20-Dione Cyclic 16,17-Acetal
• Synonyms: Pregna-1,4-Diene-3,20-Dione, 9-Alpha,11-Beta-Dichloro-16-Alpha,17-Alpha-Isopropylidenedioxy-21-Hydroxy-; 9A,11B-Dichloro-21-Hydroxy-16A,17A-(Isopropylidenedioxy)-1,4-Pregnadiene-3,20-Di
• Molecular Formula: C₂₄H₃₀Cl₂O₅
• Molecular Weight: 469.40
• CAS Registry Number: 3744-50-1
• SMILES: [C@]12(OC(O[C@@H]1CC3C2(CC(Cl)[C@@]4(Cl)C3CCC5=CC(=O)C=CC45C)C)(C)C)C(=O)CO
• InChI: 1S/C24H30Cl2O5/c1-20(2)30-19-10-16-15-6-5-13-9-14(28)7-8-21(13,3)23(15,26)17(25)11-22(16,4)24(19,31-20)18(29)12-27/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3/t15?,16?,17?,19-,21?,22?,23+,24-/m1/s1
• InChIKey: MKOFBYZTCJXGFQ-QHGIPBEJSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 596.63°C at 760 mmHg (Cal.)
• Flash point: 314.63°C (Cal.)