(1β,3α,5β,7β,8ξ,9ξ)-1,3,7-Trihydroxycholan-24-oic acid

More details:

• Systematic name

  (1beta,3alpha,5beta,7beta,8xi,9xi)-1,3,7-Trihydroxycholan-24-oic acid

• SMILES

  C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3C(CC[C@]12C)[C@]4(C)[C@@H](C[C@@H](C[C@H]4O)O)C[C@@H]3O C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3([C@@H](C[C@H](C4)O)O)C)O)C

• Std. InChi

  InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18?,19+,20-,22?,23-,24+/m1/s1

• Std. InChIKey

  GYUVAHWOVINGNE-AVAKBOGDSA-N

• Cite this record

  CSID:58784586, http://www.chemspider.com/Chemical-Structure.58784586.html (accessed 21:18, Apr 23, 2024)