65312-86-9

Primulic acid I

Synonym(s): Primulasaponin 1; Primula acid I

IUPAC Name: (2S,3S,4S,5R,6R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aR,12bS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

InChIKey: DQUUSJCGJNQFPG-CBMAJASRSA-N

SMILES: C[C@@]1(C[C@H]2O)[C@]3(CC[C@@]4([H])[C@]1(CC[C@](C(C)5C)([H])[C@@]4(CC[C@@H]5O[C@H](O[C@@H]6C(O)=O)[C@@H]([C@H]([C@@H]6O)O[C@H](O[C@@H]7CO)[C@@H]([C@H]([C@H]7O)O)O[C@H](O[C@H]8C)[C@@H]([C@@H]([C@H]8O)O)O)O[C@@H]([C@@H]([C@H]9O)O)O[C@@H]([C@H]9O)CO)C)C)[C@@](CC%10(C)C)([H])[C@@]2(CC%10)CO3