17-Bromo-9beta,11beta-Epoxy-21-Hydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione
[CAS# 61339-43-3]

Identification

• Name: 17-Bromo-9beta,11beta-Epoxy-21-Hydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione
• Molecular Formula: C₂₂H₂₇BrO₄
• Molecular Weight: 435.36
• CAS Registry Number: 61339-43-3
• EINECS: 262-724-5
• SMILES: [C@]25([C@H]([C@H]4C1(OC1C2)[C@@]3(C(=CC(C=C3)=O)CC4)C)C[C@H]([C@@]5(C(=O)CO)Br)C)C
• InChI: 1S/C22H27BrO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,23)17(26)11-24/h6-7,9,12,15-16,18,24H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18?,19+,20+,21+,22?/m1/s1
• InChIKey: HEKUKYICGJFGFQ-SYMAUWSSSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 555.155°C at 760 mmHg (Cal.)
• Flash point: 289.548°C (Cal.)