(3β,16α)-3-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->2)]-α-L-arabinopyranosyl]oxy}-16-hydroxy-13,28-epoxyoleanan-30-oic acid

More details:

• Systematic name

  (3beta,16alpha)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-L-arabinopyranosyl]oxy}-16-hydroxy-13,28-epoxyoleanan-30-oic acid

• SMILES

  C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CO[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@@]6([C@H]7CC[C@@]89[C@@H]1C[C@@](CC[C@]1(CO8)[C@@H](C[C@]9([C@@]7(CC[C@H]6C5(C)C)C)C)O)(C)C(=O)O)C)CO)O)O)O)O)O

• Std. InChi

  InChI=1S/C53H86O23/c1-22-31(57)35(61)38(64)42(70-22)76-41-37(63)33(59)24(19-55)72-45(41)73-25-20-68-44(40(34(25)60)75-43-39(65)36(62)32(58)23(18-54)71-43)74-30-10-11-49(5)26(47(30,2)3)8-12-50(6)27(49)9-13-53-28-16-48(4,46(66)67)14-15-52(28,21-69-53)29(56)17-51(50,53)7/h22-45,54-65H,8-21H2,1-7H3,(H,66,67)/t22-,23+,24+,25-,26-,27+,28+,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51-,52+,53-/m0/s1

• Std. InChIKey

  GBIVVEOMDGPTFX-KORAFSQNSA-N

• Cite this record

  CSID:23279349, http://www.chemspider.com/Chemical-Structure.23279349.html (accessed 09:30, Apr 25, 2024)