(8S,9S,11R,13S,14S,17S)-11-(2-Fluoroethyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 129000-35-7]

Identification

• Name: (8S,9S,11R,13S,14S,17S)-11-(2-Fluoroethyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: 11-(2-Fluoroethyl)Estradiol; Estra-1,3,5(10)-Triene-3,17-Diol, 11-(2-Fluoroethyl)-, (11Beta,17Beta)-; Fets
• Molecular Formula: C₂₀H₂₇FO₂
• Molecular Weight: 318.43
• CAS Registry Number: 129000-35-7
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](C[C@@H]3CCF)([C@H](CC4)O)C)O
• InChI: 1S/C20H27FO2/c1-20-11-13(8-9-21)19-15-5-3-14(22)10-12(15)2-4-16(19)17(20)6-7-18(20)23/h3,5,10,13,16-19,22-23H,2,4,6-9,11H2,1H3/t13-,16-,17-,18-,19+,20-/m0/s1
• InChIKey: MNDCNBSELADRIV-ZFRJDGDFSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 478.671°C at 760 mmHg (Cal.)
• Flash point: 243.292°C (Cal.)