Names and Identifiers

• • β-d-Glucopyranosiduronic acid, (3β,4α,16α)-17-carboxy-16-hydroxy-23-oxo-28-norolean-12-en-3-yl
  • HSDB 2171
  • Quillajasaponin
  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha)-17-carboxy-16-hydroxy-23-oxo-28-norolean-12-en-3-yl
  • QUILLAIASAPONIN
  • 3β-(β-D-Glucopyranuronosyloxy)-16α-hydroxy-23-oxoolean-12-en-28-oic acid
  • KIRAYANIN
  • .beta.-D-Glucopyranosiduronic acid, (3.beta.,4.alpha.,16.alpha.)-17-carboxy-16-hydroxy-23-oxo-28-norolean-12-en-3-yl
  • 16,28-Dihydroxy-23,28-dioxoolean-12-en-3-yl hexopyranosiduronic acid
  • QUILLAIC ACID 3-O-GLUCURONIDE
  • (3.BETA.,4.ALPHA.,16.ALPHA.)-17-CARBOXY-16-HYDROXY-23-OXO-28-NOROLEAN-12-EN-3-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
  • QUILLAJANIN S
  • 1393-03-9
  • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.ALPHA.)-17-CARBOXY-16-HYDROXY-23-OXO-28-NOROLEAN-12-EN-3-YL-
  • (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • DTXSID50930429
  • +expand
• • Inchi： 1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36+/m0/s1
  • InChI Key： PIGTXFOGKFOFTO-FVFWYJKVSA-N
  • SMILES： O([C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O[H])O1)O[H])O[H])O[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])([C@@]1(C([H])=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])[C@]([H])([C@@]4(C(=O)O[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]4([H])C3=C([H])C([H])([H])[C@@]12[H])O[H]

Computed Properties