(3β,22α)-22,28-Dihydroxy-28-oxoolean-12-en-3-yl 3-O-β-D-xylopyranosyl-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,22alpha)-22,28-Dihydroxy-28-oxoolean-12-en-3-yl 3-O-beta-D-xylopyranosyl-beta-D-glucopyranosiduronic acid

• SMILES

  C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@@H]5O)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O

• Std. InChi

  InChI=1S/C41H64O14/c1-36(2)16-20-19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-40(23,7)39(19,6)14-15-41(20,35(50)51)24(43)17-36)53-34-29(47)30(28(46)31(55-34)32(48)49)54-33-27(45)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1

• Std. InChIKey

  FOCJYVVPFHSVGZ-NETVJPFDSA-N

• Cite this record

  CSID:154462, http://www.chemspider.com/Chemical-Structure.154462.html (accessed 22:06, Apr 19, 2024)