(3β,5ξ,22β)-30-(β-D-Glucopyranosyloxy)-22,24-dihydroxyolean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-xylopyranosyl-(1->2)-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,5xi,22beta)-30-(beta-D-Glucopyranosyloxy)-22,24-dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(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)CCC4[C@@]5(C)CO)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O)[C@@H]9O

• Std. InChi

  InChI=1S/C53H86O23/c1-22-31(58)34(61)39(66)45(71-22)75-41-32(59)25(56)19-69-46(41)76-42-37(64)36(63)40(43(67)68)74-47(42)73-30-11-12-50(4)27(51(30,5)20-55)10-13-53(7)28(50)9-8-23-24-16-48(2,17-29(57)49(24,3)14-15-52(23,53)6)21-70-44-38(65)35(62)33(60)26(18-54)72-44/h8,22,24-42,44-47,54-66H,9-21H2,1-7H3,(H,67,68)/t22-,24-,25+,26+,27?,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,44+,45-,46-,47+,48+,49+,50-,51+,52+,53+/m0/s1

• Std. InChIKey

  ADILCSOXYAUBHY-KJVIPDMTSA-N

• Cite this record

  CSID:8186994, http://www.chemspider.com/Chemical-Structure.8186994.html (accessed 15:38, Apr 27, 2024)