(3β,16α,22α)-16,28-Dihydroxy-22-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-galactopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)]-β-D-glucopyr anosiduronic acid

More details:

• Systematic name

  (3beta,16alpha,22alpha)-16,28-Dihydroxy-22-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl beta-D-galactopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)]-beta-D-glucopyr anosiduronic acid

• SMILES

  C/C(=C\C)/C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO

• Std. InChi

  InChI=1S/C58H92O25/c1-10-24(2)48(74)78-34-19-53(3,4)17-26-25-11-12-31-55(7)15-14-33(54(5,6)30(55)13-16-56(31,8)57(25,9)18-32(63)58(26,34)23-61)79-52-46(83-50-41(70)39(68)37(66)29(21-60)77-50)43(42(71)44(81-52)47(72)73)80-51-45(35(64)27(62)22-75-51)82-49-40(69)38(67)36(65)28(20-59)76-49/h10-11,26-46,49-52,59-71H,12-23H2,1-9H3,(H,72,73)/b24-10+/t26-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,49-,50-,51-,52+,55-,56+,57+,58-/m0/s1

• Std. InChIKey

  KTCJGPRMIOCILW-XRNULROTSA-N

• Cite this record

  CSID:103884290, http://www.chemspider.com/Chemical-Structure.103884290.html (accessed 01:51, Jun 1, 2024)