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114818-27-8 n-chenodeoxycholyl-2-fluoro-beta-alanine

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Product Name N-chenodeoxycholyl-2-fluoro-beta-alanine
CAS No. 114818-27-8
Synonyms N-Chenodeoxycholyl-2-fluoro-beta-alanine; Ncdcfa; Propanoic acid, 3-(((3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-2-fluoro-; 3-{[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-dihydroxy-24-oxocholan-24-yl]amino}-2-fluoropropanoic acid
InChI InChI=1/C27H44FNO5/c1-15(4-7-23(32)29-14-21(28)25(33)34)18-5-6-19-24-20(9-11-27(18,19)3)26(2)10-8-17(30)12-16(26)13-22(24)31/h15-22,24,30-31H,4-14H2,1-3H3,(H,29,32)(H,33,34)/t15-,16+,17-,18-,19?,20?,21?,22-,24?,26+,27-/m1/s1
Molecular Formula C27H44FNO5
Molecular Weight 481.6404
Density 1.177g/cm3
Boiling point 670.4°C at 760 mmHg
Flash point 359.2°C
Refractive index 1.534