17-Bromo-9beta,11beta-Epoxy-21-Hydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 61339-41-1]

Identification

• Name: 17-Bromo-9beta,11beta-Epoxy-21-Hydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate
• Molecular Formula: C₂₄H₂₉BrO₅
• Molecular Weight: 477.39
• CAS Registry Number: 61339-41-1
• EINECS: 262-721-9
• SMILES: [C@@H]25C1(OC1C[C@]3([C@H]2C[C@H]([C@]3(Br)C(=O)COC(=O)C)C)C)[C@@]4(C(=CC(=O)C=C4)CC5)C
• InChI: 1S/C24H29BrO5/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,25)19(28)12-29-14(2)26/h7-8,10,13,17-18,20H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,20?,21+,22+,23+,24?/m1/s1
• InChIKey: PYWORDXOTRDYQA-YKQBHGLRSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 567.366°C at 760 mmHg (Cal.)
• Flash point: 296.933°C (Cal.)