(11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-17-((1-oxopentyl)oxy)-Pregna-1,4-diene-3,20-dione mixt. with 5-chloro-7-iodo-8-quinolinol
[CAS# 53262-70-7]

Identification

• Name: (11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl-17-((1-oxopentyl)oxy)-Pregna-1,4-diene-3,20-dione mixt. with 5-chloro-7-iodo-8-quinolinol
• Synonyms: 5-Chloro-7-Iodo-Quinolin-8-Ol; [(8S,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Pentanoate; 5-Chloro-7-Iodo-8-Quinolinol; Pentanoic Acid [(8S,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 5-Chloro-7-Iodo-Quinolin-8-Ol; Valeric Acid [(8S,10S,11S,13S,14S,16S,17R)-9-Fluoro-17-Glycoloyl-11-Hydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₃₆H₄₂ClFINO₇
• Molecular Weight: 782.09
• CAS Registry Number: 53262-70-7
• SMILES: [C@H]12[C@@]([C@](OC(=O)CCCC)([C@H](C1)C)C(=O)CO)(C[C@H](O)C3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C.C6=C(Cl)C5=C(N=CC=C5)C(=C6I)O
• InChI: 1S/C27H37FO6.C9H5ClINO/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3;1-4,13H/t16-,19-,20-,21-,24-,25-,26?,27-;/m0./s1
• InChIKey: GGMXWHRZJSEEMV-UBYGFFDOSA-N

Properties

• Boiling point: 598.9°C at 760 mmHg (Cal.)
• Flash point: 316°C (Cal.)