Oleanolic acid-3-O-glucosyl(1-2)xylyl(1-3)glucosiduronic acid

• CAT Number: I044902
• CAS Number: 1447508-78-2
• Molecular Formula: C47H74O18
• Molecular Weight: 927.08
• Purity: ≥95%
• Synonyms: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylic acid
• InChI: InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-39-33(55)34(32(54)35(64-39)37(56)57)63-40-36(28(50)23(49)20-60-40)65-38-31(53)30(52)29(51)24(19-48)61-38/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35-,36+,38-,39+,40-,44-,45+,46+,47-/m0/s1
• InChIKey: SFBJNUFWASMNDQ-KLKVHCOESA-N
• SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C

Oleanolic acid-3-O-glucosyl(1-2)xylyl(1-3)glucosiduronic acid is a nature occurring triterpene saponin[1].

Reference

[1]. N. V. Mironenko, et al. Kinetics of the sorption of triterpene saponin by hypercrosslinked polystyrene. Russian Journal of Physical Chemistry A, 2013:87(3), 368–371.