Methyl (3α,5β)-3-(Acetyloxy)-7-oxo-cholan-24-oic Acid Ester

CAS: 10452-65-0

Ref. TR-M336153

Produktinformation

• Name: Methyl (3α,5β)-3-(Acetyloxy)-7-oxo-cholan-24-oic Acid Ester
• Synonyme: Methyl 3α-Acetoxy-7-keto-5β-cholanate, Methyl 3α-Hydroxy-7-oxo-5β-cholanic Acid Ester Acetate
• Marke: TRC

Beschreibung

Applications Methyl (3α,5β)-3-(Acetyloxy)-7-oxo-cholan-24-oic Acid Ester is an intermediate used in the synthesis of ω-Muricholic Acid (M732760), which is used in the regulation of weight gain and lipid metabolism by bacterial bile acid modification in gut for the control of obesity and hypercholesterolemia.
References Joyce, Susan A., et al.: Proc. Natl. Acad. Sci. USA, 111, 7421 (2014)

Chemische Eigenschaften

• Molekulargewicht: 446.619
• Formel: C₂₇H₄₂O₅
• Farbe/Form: Neat
• InChl: InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h16,18-22,25H,6-15H2,1-5H3/t16-,18+,19-,20-,21+,22+,25+,26+,27-/m1/s1
• InChI Key: InChIKey=IOBLILNCUSICGD-SNNBGYMSSA-N
• SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C