(8S,9S,11S,13S,14S,16R,17R)-11-Ethyl-16-Fluoro-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 129000-39-1]

Identification

• Name: (8S,9S,11S,13S,14S,16R,17R)-11-Ethyl-16-Fluoro-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: (11Beta,16Alpha,17Beta)-11-Ethyl-16-Fluoroestra-1,3,5(10)-Triene-3,17-Diol; 11-Et-Fes; 11-Ethyl-16-Fluoroestradiol
• Molecular Formula: C₂₀H₂₇FO₂
• Molecular Weight: 318.43
• CAS Registry Number: 129000-39-1
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](C[C@@H]3CC)([C@H]([C@@H](C4)F)O)C)O
• InChI: 1S/C20H27FO2/c1-3-11-10-20(2)16(9-17(21)19(20)23)15-6-4-12-8-13(22)5-7-14(12)18(11)15/h5,7-8,11,15-19,22-23H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17+,18+,19-,20-/m0/s1
• InChIKey: BLLQFETUFOJMGB-PVPZMVGNSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 468.566°C at 760 mmHg (Cal.)
• Flash point: 237.18°C (Cal.)