(3α,5β,7α)-24-Iodo-cholane-3,7-diol Diformate

CAS: 264128-67-8

Ref. TR-I694495

Product Information

• Name: (3α,5β,7α)-24-Iodo-cholane-3,7-diol Diformate
• Synonyms: [(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-formyloxy-17-[(2R)-5-iodopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
• Brand: TRC
• Description: Applications (3α,5β,7α)-24-Iodo-cholane-3,7-diol Diformate 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: 544.506
• Formula: C₂₆H₄₁IO₄
• Color/Form: Neat
• InChI: InChI=1S/C26H41IO4/c1-17(5-4-12-27)20-6-7-21-24-22(9-11-26(20,21)3)25(2)10-8-19(30-15-28)13-18(25)14-23(24)31-16-29/h15-24H,4-14H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1
• InChI key: InChIKey=WNHHOJCQNCLKCO-WLZWUTLSSA-N
• SMILES: C[C@H](CCCI)[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