(2α,3β)-2,3,19-Trihydroxy-23-(sulfooxy)urs-12-en-28-oic acid

More details:

• Systematic name

  (2alpha,3beta)-2,3,19-Trihydroxy-23-(sulfooxy)urs-12-en-28-oic acid

• SMILES

  C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)COS(=O)(=O)O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

• Std. InChi

  InChI=1S/C30H48O9S/c1-17-9-12-30(24(33)34)14-13-27(4)18(22(30)29(17,6)35)7-8-21-25(2)15-19(31)23(32)26(3,16-39-40(36,37)38)20(25)10-11-28(21,27)5/h7,17,19-23,31-32,35H,8-16H2,1-6H3,(H,33,34)(H,36,37,38)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1

• Std. InChIKey

  YDJYRDOKNBKUDY-NIZSJLHKSA-N

• Cite this record

  CSID:24676374, http://www.chemspider.com/Chemical-Structure.24676374.html (accessed 02:47, Apr 25, 2024)