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2-Bromo-9beta,11beta-Epoxy-6beta-Fluoro-16alpha,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 60864-71-3]

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CAS#: 60864-71-3
Product: 2-Bromo-9beta,11beta-Epoxy-6beta-Fluoro-16alpha,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
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Identification
Name 2-Bromo-9beta,11beta-Epoxy-6beta-Fluoro-16alpha,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
Molecular Structure CAS#: 60864-71-3, 2-Bromo-9beta,11beta-Epoxy-6beta-Fluoro-16alpha,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
Molecular Formula C23H26BrFO7
Molecular Weight 513.36
CAS Registry Number 60864-71-3
EINECS 262-500-7
SMILES [C@@H]25C1(OC1C[C@]3([C@H]2C[C@@H](O)[C@]3(O)C(=O)COC(=O)C)C)[C@@]4(C(=CC(=O)C(=C4)Br)[C@H](F)C5)C
InChI 1S/C23H26BrFO7/c1-10(26)31-9-18(29)22(30)17(28)6-11-12-4-15(25)13-5-16(27)14(24)7-21(13,3)23(12)19(32-23)8-20(11,22)2/h5,7,11-12,15,17,19,28,30H,4,6,8-9H2,1-3H3/t11-,12-,15+,17+,19?,20-,21-,22-,23?/m0/s1
InChIKey VKTRIDLJTSEUMD-AIBLRJPKSA-N
Properties
Density 1.611g/cm3 (Cal.)
Boiling point 636.236°C at 760 mmHg (Cal.)
Flash point 338.583°C (Cal.)
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