(3β)-3-{[α-D-Glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy}olean-12-en-28-oic acid

More details:

• Systematic name

  (3beta)-3-{[alpha-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oic acid

• SMILES

  O=C(O)[C@@]82[C@H](/C1=C/C[C@H]7[C@](C)([C@]1(C)CC2)CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO[C@@H]5O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]5O)CO)C6(C)C)CC(C)(C)CC8

• Std. InChi

  InChI=1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)65-40-35(56)33(54)31(52)26(64-40)21-61-39-37(58)34(55)38(25(20-50)63-39)66-41-36(57)32(53)30(51)24(19-49)62-41/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37+,38+,39+,40-,41+,45-,46+,47+,48-/m0/s1

• Std. InChIKey

  WXXLWCWQXYSZLO-RFFZVBHPSA-N

• Cite this record

  CSID:9978618, http://www.chemspider.com/Chemical-Structure.9978618.html (accessed 02:59, Apr 27, 2024)