(2β,3β,5ξ)-3-{[3-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-2,23-dihydroxyolean-12-en-28-oic acid

More details:

• Systematic name

  (2beta,3beta,5xi)-3-{[3-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-2,23-dihydroxyolean-12-en-28-oic acid

• SMILES

  O=C(O)[C@@]72[C@H](/C1=C/C[C@H]5[C@](C)([C@]1(C)CC2)CCC6[C@]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)CO)[C@@H](O)C[C@]56C)(C)CO)CC(C)(C)CC7

• Std. InChi

  InChI=1S/C42H68O15/c1-37(2)11-13-42(36(52)53)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)57-35-31(51)32(28(48)24(18-44)55-35)56-34-30(50)29(49)27(47)23(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23+,24+,25?,26+,27+,28+,29-,30+,31+,32-,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1

• Std. InChIKey

  NJMLUNVBNUKPNX-PKMRSRDSSA-N

• Cite this record

  CSID:8875942, http://www.chemspider.com/Chemical-Structure.8875942.html (accessed 02:45, Apr 25, 2024)