3a,7a,12a-Trihydroxy-5b-cholestan-26-oate

More details:

• Systematic name

  (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-Trihydroxycholestan-26-oate

• SMILES

  C[C@H](CCCC(C)C(=O)[O-])[C@H]1CC[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/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/p-1/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

• Std. InChIKey

  CNWPIIOQKZNXBB-VCVMUKOKSA-M

• Cite this record

  CSID:20015975, http://www.chemspider.com/Chemical-Structure.20015975.html (accessed 13:15, Apr 25, 2024)