N-ACETYLGLUCOSAMINYL URSODEOXYCHOLIC ACID

More details:

• Systematic name

  (3alpha,5beta,7beta,20R)-7-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-3-hydroxycholan-24-oic 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[C@H]4[C@@]3(CC[C@H](C4)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)C

• Std. InChi

  InChI=1S/C32H53NO9/c1-16(5-8-25(37)38)20-6-7-21-26-22(10-12-32(20,21)4)31(3)11-9-19(36)13-18(31)14-23(26)41-30-27(33-17(2)35)29(40)28(39)24(15-34)42-30/h16,18-24,26-30,34,36,39-40H,5-15H2,1-4H3,(H,33,35)(H,37,38)/t16-,18+,19-,20-,21+,22+,23+,24-,26+,27-,28-,29-,30-,31+,32-/m1/s1

• Std. InChIKey

  OJWRORNYMMWQQM-ISPNGHFPSA-N

• Cite this record

  CSID:32698106, http://www.chemspider.com/Chemical-Structure.32698106.html (accessed 14:05, Apr 28, 2024)