(3α,5β)-3-[(Ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester

CAS: 96475-64-8

Ref. TR-E891915

Product Information

• Name: (3α,5β)-3-[(Ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester
• Synonyms: methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-ethoxycarbonyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
• Brand: TRC

Description

Applications (3α,5β)-3-[(Ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester is an intermediate in the synthesis of α-Muricholic Acid (M732750), an bile acid metabolite found in urine.
References Iida, T., et al.: J. Lipid. Res., 30, 1267 (1989);

Chemical properties

• Molecular weight: 476.65
• Formula: C₂₈H₄₄O₆
• Color/Form: Neat
• InChI: InChI=1S/C28H44O6/c1-6-33-26(31)34-19-11-13-27(3)18(15-19)16-23(29)25-21-9-8-20(17(2)7-10-24(30)32-5)28(21,4)14-12-22(25)27/h17-22,25H,6-16H2,1-5H3/t17-,18+,19-,20-,21+,22+,25+,27+,28-/m1/s1
• InChI key: InChIKey=BASXPVZSBPLCKO-KJLIZYLQSA-N
• SMILES: CCOC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(=O)OC)C1