Products 72896-40-3

CAS 72896-40-3 appears in our catalog under these names: Benzoyloxypaeoniflorin/ 97.64% (existing batch purity), Benzoyloxypaeoniflorin, 98.60%. Offered by: TargetMol, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 5 mg, 10 mg.

Benzoyloxypaeoniflorin/ 97.64% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 1009.99
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Benzoyloxypaeoniflorin, 98.60%
MedChemExpress
  • size: 5 mg, 10 mg
  • Variants: 2
from 1945.09
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Structural formula: {0} (CAS {1})

Beta-benzoyloxypaeoniflorin is a monoterpene glycoside with formula C30H32O13, isolated from several species of Paeoniae. It has a role as a platelet aggregation inhibitor, an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite. It is a beta-D-glucoside, a bridged compound, a lactol, an O-acyl carbohydrate, a cyclic acetal, a monoterpene glycoside and a 4-hydroxybenzoate ester.

Source: ChEBI

Identity
Molecular formulaC30H32O13
Molecular weight600.6 g/mol
IUPAC name[(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
InChIKeyVIWQCBZFJFSCLC-HRCYFWENSA-N
SMILESC[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Benzoyloxypaeoniflorin, benzoyloxy-paeoniflorin, Benzoyloxypeoniflorin, beta-benzoyloxypaeoniflorin, beta-6'-benzoyloxypaeoniflorin, orb1302308, beta-oxypaeoniflorin 6'-benzoate
Related forms of this compound
[(1R,2S,3S,5S,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate C30H32O13