141256-04-4

QS-21-Api

Synonym(s): Stimulon

IUPAC Name: (2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4S,5R)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-(((3S,5S,6S)-5-(((3S,5S,6S)-5-(((2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyloctanoyl)oxy)-3-hydroxy-6-methyloctanoyl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3-hydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

InChIKey: DRHZYJAUECRAJM-DWSYSWFDSA-N

SMILES: O=C([C@]1(CCC(C)(C)C2)[C@]2([H])C3=CC[C@@]4([H])[C@@](C)(CC[C@]5([H])[C@@]4(CC[C@H](O[C@@](O[C@H](C(O)=O)[C@@H](O)[C@@H]6O[C@@](OC[C@@H](O)[C@@H]7O)([H])[C@@H]7O)([H])[C@@H]6O[C@]([C@@H]([C@@H](O)[C@H]8O)O)([H])O[C@@H]8CO)[C@@]5(C)C=O)C)[C@]3(C)C[C@H]1O)O[C@H](O[C@H](C)[C@H](OC(C[C@@H](O)C[C@]([C@@H](C)CC)([H])OC(C[C@@H](O)C[C@]([C@@H](C)CC)([H])O[C@@H]9O[C@@H](CO)[C@H](O)[C@H]9O)=O)=O)[C@@H]%10O)[C@@H]%10O[C@@](O[C@@H](C)[C@H](O[C@@](OC[C@@H](O)[C@@H]%11O[C@@](OC[C@]%12(O)CO)([H])[C@@H]%12O)([H])[C@@H]%11O)[C@H]%13O)([H])[C@@H]%13O