(3β,16α,21β,22α)-21-Acetoxy-16,22-dihydroxy-28-[(3-methylbutanoyl)oxy]olean-12-en-3-yl 2-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,16alpha,21beta,22alpha)-21-Acetoxy-16,22-dihydroxy-28-[(3-methylbutanoyl)oxy]olean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid

• SMILES

  O=C(O[C@@H]3C(C)(C)C[C@H]2/C1=C/C[C@H]7[C@](C)([C@]1(C)C[C@@H](O)[C@@]2(COC(=O)CC(C)C)[C@H]3O)CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)C6(C)C)C

• Std. InChi

  InChI=1S/C49H78O18/c1-22(2)17-31(53)62-21-49-25(18-44(4,5)40(39(49)59)63-23(3)51)24-11-12-28-46(8)15-14-30(45(6,7)27(46)13-16-47(28,9)48(24,10)19-29(49)52)65-43-38(35(57)34(56)37(66-43)41(60)61)67-42-36(58)33(55)32(54)26(20-50)64-42/h11,22,25-30,32-40,42-43,50,52,54-59H,12-21H2,1-10H3,(H,60,61)/t25-,26+,27-,28+,29+,30-,32-,33-,34-,35-,36+,37-,38+,39-,40-,42-,43+,46-,47+,48+,49-/m0/s1

• Std. InChIKey

  IKEYUULNRGOLIU-UUIUQROYSA-N

• Cite this record

  CSID:9161073, http://www.chemspider.com/Chemical-Structure.9161073.html (accessed 22:45, Apr 25, 2024)