(3β,15α,16α,21β,22α)-21-Acetoxy-15,16,28-trihydroxy-22-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl 2-O-(6-deoxy-α-D-mannopyranosyl)-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,15alpha,16alpha,21beta,22alpha)-21-Acetoxy-15,16,28-trihydroxy-22-{[(2Z)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl 2-O-(6-deoxy-alpha-D-mannopyranosyl)-beta-D-glucopyranosiduronic acid

• SMILES

  C/C=C(/C)\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)C)O)O)O)C)C)C)O)O)CO)(C)C)OC(=O)C

• Std. InChi

  InChI=1S/C49H76O18/c1-12-21(2)41(61)67-39-38(63-23(4)51)44(5,6)19-25-24-13-14-27-46(9)17-16-28(45(7,8)26(46)15-18-47(27,10)48(24,11)36(57)37(58)49(25,39)20-50)64-43-35(32(55)31(54)34(65-43)40(59)60)66-42-33(56)30(53)29(52)22(3)62-42/h12-13,22,25-39,42-43,50,52-58H,14-20H2,1-11H3,(H,59,60)/b21-12-/t22-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,42-,43-,46+,47-,48+,49+/m1/s1

• Std. InChIKey

  UWIBPMODOUWPBX-AJIDHCQLSA-N

• Cite this record

  CSID:24711153, http://www.chemspider.com/Chemical-Structure.24711153.html (accessed 17:10, Apr 20, 2024)