3-Deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-Trideuteriooxy-9-Fluoro-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]Propane-1,2-Dione
[CAS# 124979-27-7]

Identification

• Name: 3-Deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-Trideuteriooxy-9-Fluoro-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-17-Yl]Propane-1,2-Dione
• Synonyms: 3-Deuteriooxy-1-[(8S,10S,11S,13S,14S,16R,17R)-11,16,17-Trideuteriooxy-9-Fluoro-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]Propane-1,2-Dione; 9-Fluoro-11,16,17-Trihydroxy-17-Hydroxymethyl-D-Homoandrosta-1,4-Diene-3,17-Dione; Fl-Thha
• Molecular Formula: C₂₂H₂₃D₄FO₇
• Molecular Weight: 426.47
• CAS Registry Number: 124979-27-7
• SMILES: [C@@H]23CCC1=CC(C=C[C@@]1(C2([C@H](C[C@]4([C@H]3C[C@H]([C@]4(C(C(CO[2H])=O)=O)O[2H])O[2H])C)O[2H])F)C)=O
• InChI: 1S/C22H27FO7/c1-19-6-5-12(25)7-11(19)3-4-13-14-8-16(27)22(30,18(29)15(26)10-24)20(14,2)9-17(28)21(13,19)23/h5-7,13-14,16-17,24,27-28,30H,3-4,8-10H2,1-2H3/t13-,14-,16+,17-,19-,20-,21?,22+/m0/s1/i24D,27D,28D,30D
• InChIKey: QJIUSLJNNMSQLD-SXFZEUCUSA-N

Properties

• Density: 1.469g/cm³ (Cal.)
• Boiling point: 608.249°C at 760 mmHg (Cal.)
• Flash point: 321.657°C (Cal.)