Diethyl 3,7-Bis(formyloxy)-25-methyl-cholestane-26,27-dioic Acid Ester-d3

CAS: 264128-68-9

Ref. TR-D444946

Product Information

• Name: Diethyl 3,7-Bis(formyloxy)-25-methyl-cholestane-26,27-dioic Acid Ester-d3
• Synonyms: diethyl 2-[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]-2-(trideuteriomethyl)propanedioate
• Brand: TRC
• Description: Applications Diethyl 3,7-Bis(formyloxy)-25-methyl-cholestane-26,27-dioic Acid Ester-d3 is an intermediate used in the synthesis of 3α,7α-Dihydroxycoprostanic Acid-d3 (D452517), which is a labelled analogue of 3α,7α-Dihydroxycoprostanic Acid (D452515), a precursor of Cholic Acid (C432600), it undergoes side chain oxidation during the synthesis of bile acids. It was found that Zellweger’s syndrome patients have abnormal mitochondrial structure, the organelle that is responsible for the side chain oxidation, and as a consequence, excess amounts of 3α,7α-Dihydroxycoprostanic Acid.References Hanson, R. F., et al.: Science (Washington, DC, U. S.), 203, 1107 (1979)

Chemical properties

• Molecular weight: 593.806
• Formula: C₃₄D₃H₅₁O₈
• Color/Form: Neat
• InChI: InChI=1S/C34H54O8/c1-7-39-30(37)34(6,31(38)40-8-2)15-9-10-22(3)25-11-12-26-29-27(14-17-33(25,26)5)32(4)16-13-24(41-20-35)18-23(32)19-28(29)42-21-36/h20-29H,7-19H2,1-6H3/t22-,23+,24-,25-,26+,27+,28-,29+,32+,33-/m1/s1/i6D3
• InChI key: InChIKey=WUPLPHPIONRRAK-ITKWGJEVSA-N
• SMILES: [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](OC=O)C[C@H]1C[C@H]3OC=O)(C(=O)OCC)C(=O)OCC