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16-epi-Clobetasol
[CAS# 61319-46-8]

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Identification
Name 16-epi-Clobetasol
Synonyms (8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Structure CAS # 61319-46-8, 16-epi-Clobetasol, (8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Formula C22H28ClFO4
Molecular Weight 410.91
CAS Registry Number 61319-46-8
SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C
Properties
Solubility 19.97 mg/L (25 ºC water)
Density 1.3±0.1 g/cm3, Calc.*
Index of Refraction 1.582, Calc.*
Melting point 210.98 ºC
Boiling Point 496.55 ºC, 555.1±50.0 ºC (760 mmHg), Calc.*
Flash Point 289.5±30.1 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
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