4-Oxo-4-{[(3α,5α,7α,12α,17ξ)-3,7,12-trihydroxycholan-24-yl]oxy}butanoic acid

More details:

• Systematic name

  4-Oxo-4-{[(3alpha,5alpha,7alpha,12alpha,17xi)-3,7,12-trihydroxycholan-24-yl]oxy}butanoic acid

• SMILES

  C[C@H](CCCOC(=O)CCC(=O)O)C1CC[C@H]2[C@H]3[C@H](C[C@@H]([C@]12C)O)[C@@]4(C)CC[C@H](C[C@@H]4C[C@H]3O)O C[C@H](CCCOC(=O)CCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

• Std. InChi

  InChI=1S/C28H46O7/c1-16(5-4-12-35-25(34)9-8-24(32)33)19-6-7-20-26-21(15-23(31)28(19,20)3)27(2)11-10-18(29)13-17(27)14-22(26)30/h16-23,26,29-31H,4-15H2,1-3H3,(H,32,33)/t16-,17-,18-,19?,20+,21+,22-,23+,26+,27+,28-/m1/s1

• Std. InChIKey

  YVLYOODHWSNQSW-AWGSNEDMSA-N

• Cite this record

  CSID:58784728, http://www.chemspider.com/Chemical-Structure.58784728.html (accessed 15:20, May 5, 2024)