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

• SMILES

  CC(C)CC(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[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)CO)O)O)O)C)C)C)O)CO)(C)C)OC(=O)C

• Std. InChi

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

  PSYKTLBMWPCJQP-UUIUQROYSA-N

• Cite this record

  CSID:10141455, http://www.chemspider.com/Chemical-Structure.10141455.html (accessed 05:44, Apr 27, 2024)