Cholic acid glucuronide

More details:

• Systematic name

  (3alpha,5beta,7alpha,8xi,12alpha)-7,12,24-Trihydroxy-24-oxocholan-3-yl beta-D-glucopyranosiduronic acid

• SMILES

  C[C@H](CCC(=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@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C

• Std. InChi

  InChI=1S/C30H48O11/c1-13(4-7-21(33)34)16-5-6-17-22-18(12-20(32)30(16,17)3)29(2)9-8-15(10-14(29)11-19(22)31)40-28-25(37)23(35)24(36)26(41-28)27(38)39/h13-20,22-26,28,31-32,35-37H,4-12H2,1-3H3,(H,33,34)(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1

• Std. InChIKey

  RBLDVEUUCHVWMW-SXYQVCRBSA-N

• Cite this record

  CSID:13628368, http://www.chemspider.com/Chemical-Structure.13628368.html (accessed 10:48, Apr 23, 2024)