51161-58-1

β-D-glucopyranosyl-[α-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]-3β-hydroxyolean-12-ene28-oate Chemical Structure
51161-58-1

Chemical Structure

β-D-glucopyranosyl-[α-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]-3β-hydroxyolean-12-ene28-oate

  • CAS No.: 51161-58-1
  • Formula:C48H76O18
  • Molecular Weight:941.11

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

InChIKey: LBHYRBPEXITYTN-WYPLEBMUSA-N

SMILES: OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC([C@]23[C@](CC(C)(CC3)C)([H])C4=CC[C@@]([C@@]5([C@@](C(C)([C@H](CC5)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]([C@@H](O7)C)O)O)O)O)C)([H])CC8)C)([H])[C@]8(C)[C@@]4(CC2)C)=O

Biological Activity: β-D-glucopyranosyl-[α-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]-3β-hydroxyolean-12-ene28-oate, as a saponin, has a glucuronic acid attached to carbon C-3 and is isolated from S. simplex[1].

Cat. No. Product Name Purity Description Pricing
HY-N9522
β-D-glucopyranosyl-[α-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]-3β-hydroxyolean-12-ene28-oate 99.95% β-D-glucopyranosyl-[α-L-rhamnopyranosyl-(1→3)-βD-glucuronopyranosyl-(1→3)]-3β-hydroxyolean-12-ene28-oate, as a saponin, has a glucuronic acid attached to carbon C-3 and is isolated from S. simplex.
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