(3α,5β,6α,7α,8ξ)-3,7,24-Trihydroxy-24-oxocholan-6-yl β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3alpha,5beta,6alpha,7alpha,8xi)-3,7,24-Trihydroxy-24-oxocholan-6-yl beta-D-glucopyranosiduronic acid

• SMILES

  C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C

• Std. InChi

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

• Std. InChIKey

  XVNRNIWARCALGY-UAUNMXJXSA-N

• Cite this record

  CSID:64808465, http://www.chemspider.com/Chemical-Structure.64808465.html (accessed 19:42, Apr 26, 2024)