(3β,5ξ,18α)-3,30-Bis(β-D-glucopyranosyloxy)-23-hydroxyurs-12-en-28-oic acid

More details:

• Systematic name

  (3beta,5xi,18alpha)-3,30-Bis(beta-D-glucopyranosyloxy)-23-hydroxyurs-12-en-28-oic acid

• SMILES

  O=C(O)[C@]75CC[C@@]3(\C(=C/C[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@](C)(CO)C4CC[C@]23C)[C@H]5[C@H]([C@H](CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)CC7)C)C

• Std. InChi

  InChI=1S/C42H68O15/c1-20-21(18-54-35-33(50)31(48)29(46)23(16-43)55-35)8-13-42(37(52)53)15-14-40(4)22(28(20)42)6-7-26-38(2)11-10-27(39(3,19-45)25(38)9-12-41(26,40)5)57-36-34(51)32(49)30(47)24(17-44)56-36/h6,20-21,23-36,43-51H,7-19H2,1-5H3,(H,52,53)/t20-,21-,23+,24+,25?,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,38-,39-,40+,41+,42-/m0/s1

• Std. InChIKey

  FEUONHIGMWVYIS-IXFNNLGPSA-N

• Cite this record

  CSID:8163564, http://www.chemspider.com/Chemical-Structure.8163564.html (accessed 08:15, Apr 26, 2024)