Estradiol-3-Trimethylsilyl Ether-17-Heptafluorobutyrate
[CAS# 120623-45-2]

Identification

• Name: Estradiol-3-Trimethylsilyl Ether-17-Heptafluorobutyrate
• Synonyms: 2,2,3,3,4,4,4-Heptafluorobutanoic Acid [(8R,9S,13S,14S,17S)-13-Methyl-3-Trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 2,2,3,3,4,4,4-Heptafluorobutyric Acid [(8R,9S,13S,14S,17S)-13-Methyl-3-Trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Estradiol-3-Trimethylsilyl Ether-17-Heptafluorobutyrate
• Molecular Formula: C₂₅H₃₁F₇O₃Si
• Molecular Weight: 540.59
• CAS Registry Number: 120623-45-2
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](CC4)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C)O[Si](C)(C)C
• InChI: 1S/C25H31F7O3Si/c1-22-12-11-17-16-8-6-15(35-36(2,3)4)13-14(16)5-7-18(17)19(22)9-10-20(22)34-21(33)23(26,27)24(28,29)25(30,31)32/h6,8,13,17-20H,5,7,9-12H2,1-4H3/t17-,18-,19+,20+,22+/m1/s1
• InChIKey: SKCZEAZINGMGHC-KOVVAJLHSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 450.078°C at 760 mmHg (Cal.)
• Flash point: 226°C (Cal.)