(3β,5ξ,22β)-30-(β-D-Glucopyranosyloxy)-22-hydroxyolean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,5xi,22beta)-30-(beta-D-Glucopyranosyloxy)-22-hydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid

• SMILES

  O=C(O)[C@H]9O[C@@H](O[C@H]5CC[C@]4(C)[C@H]6C/C=C3/[C@@H]2C[C@@](C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H](O)[C@]2(C)CC[C@@]3(C)[C@]6(C)CCC4C5(C)C)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@@H](O)[C@@H]9O

• Std. InChi

  InChI=1S/C54H88O23/c1-22-31(58)34(61)40(67)46(71-22)76-42-36(63)33(60)26(20-56)73-47(42)77-43-38(65)37(64)41(44(68)69)75-48(43)74-30-12-13-52(6)27(49(30,2)3)11-14-54(8)28(52)10-9-23-24-17-50(4,18-29(57)51(24,5)15-16-53(23,54)7)21-70-45-39(66)35(62)32(59)25(19-55)72-45/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27?,28+,29+,30-,31-,32+,33-,34+,35-,36-,37-,38-,39+,40+,41-,42+,43+,45+,46-,47-,48+,50+,51+,52-,53+,54+/m0/s1

• Std. InChIKey

  OWWLEXRVIUKGSS-YQNGVDGOSA-N

• Cite this record

  CSID:8571840, http://www.chemspider.com/Chemical-Structure.8571840.html (accessed 12:24, May 6, 2024)