(6alpha,11beta)-9-Chloro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione
[CAS# 94087-96-4]

Identification

• Name: (6alpha,11beta)-9-Chloro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione
• Synonyms: 9-chloro-11β-hydroxy-6α-methylpregna-1,4-diene-3,20-dione
• Molecular Formula: C₂₂H₂₉ClO₃
• Molecular Weight: 376.92
• CAS Registry Number: 94087-96-4
• EINECS: 301-992-0
• SMILES: CC(=O)[C@H]4CC[C@H]3[C@@H]2C[C@H](C)C1=CC(=O)C=C[C@]1(C)[C@@]2(Cl)[C@@H](O)C[C@@]34C
• InChI: 1S/C22H29ClO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h7-8,10,12,15-16,18-19,26H,5-6,9,11H2,1-4H3/t12-,15+,16-,18-,19-,20+,21-,22-/m0/s1
• InChIKey: HFTXHRFCLJJTGL-ORKYMPNQSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 523.916°C at 760 mmHg (Cal.)
• Flash point: 270.655°C (Cal.)