Estra-1,3,5(10)-Triene-3,17beta-Diol 17-Butyrate
[CAS# 18069-79-9]

Identification

• Name: Estra-1,3,5(10)-Triene-3,17beta-Diol 17-Butyrate
• Synonyms: Butanoic Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Butyric Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Estra-1,3,5(10)-Triene-3,17Beta-Diol 17-Butyrate
• Molecular Formula: C₂₂H₃₀O₃
• Molecular Weight: 342.48
• CAS Registry Number: 18069-79-9
• EINECS: 241-977-5
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](CC4)OC(CCC)=O)C)O
• InChI: 1S/C22H30O3/c1-3-4-21(24)25-20-10-9-19-18-7-5-14-13-15(23)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20,23H,3-5,7,9-12H2,1-2H3/t17-,18-,19+,20+,22+/m1/s1
• InChIKey: XRKFWLKYSYKIKT-KOVVAJLHSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 474.346°C at 760 mmHg (Cal.)
• Flash point: 188.019°C (Cal.)