(8R,9S,13S,14S,17S)-2-Fluoro-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,4,17-Triol
[CAS# 148044-31-9]

Identification

• Name: (8R,9S,13S,14S,17S)-2-Fluoro-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,4,17-Triol
• Synonyms: 2-Fluoro-4-Hydroxyestradiol; 2F4ohe2; Estra-1,3,5(10)-Triene-3,4,17-Triol, 2-Fluoro-, (17Beta)-
• Molecular Formula: C₁₈H₂₃FO₃
• Molecular Weight: 306.38
• CAS Registry Number: 148044-31-9
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C3=CC(=C(O)C(=C3CC4)O)F)C
• InChI: 1S/C18H23FO3/c1-18-7-6-9-10(13(18)4-5-15(18)20)2-3-11-12(9)8-14(19)17(22)16(11)21/h8-10,13,15,20-22H,2-7H2,1H3/t9-,10+,13-,15-,18-/m0/s1
• InChIKey: RRMDJMJTCAKGBL-ZICKVNAASA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 447.168°C at 760 mmHg (Cal.)
• Flash point: 224.239°C (Cal.)