ChemicalBook--->CAS DataBase List--->39011-91-1

39011-91-1

39011-91-1 Structure

39011-91-1 Structure
IdentificationBack Directory
[Name]

oxypaeoniflora
[CAS]

39011-91-1
[Synonyms]

Nsc258310
Oxypeoniflorin
oxypaeoniflora
oxypaeoniflorin
Oxypaeoniflorin, >98%
β-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl
[[(1aR)-3aβ,5,5aβ,5b-Tetrahydro-5β-hydroxy-5bβ-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2α,5-methano-3,4-dioxa-1H-cyclobuta[cd]pentalen]-1aβ(2H)-yl]β-D-glucopyranoside
[Molecular Formula]

C23H28O12
[MDL Number]

MFCD00869478
[MOL File]

39011-91-1.mol
[Molecular Weight]

496.462
Chemical PropertiesBack Directory
[Melting point ]

>162°C (dec.)
[Boiling point ]

737.1±60.0 °C(Predicted)
[density ]

1.71±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

8.16±0.15(Predicted)
[color ]

White to Pale Yellow
[Stability:]

Hygroscopic
[InChIKey]

FCHVXNVDFYXLIL-UHFFFAOYSA-N
[SMILES]

[H][C@]12O[C@]3(C)C4(O[C@@]5([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@]1(COC(C6=CC=C(O)C=C6)=O)[C@@]([H])(C4)[C@@](O)(C3)O2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from peony bark, peony root, and red peony root.
[Uses]

Oxypaeoniflora is a plant extract of Paeonia suffruticosa, and has been used in the prevention of pathogenesis diabetic nephropathy providing anti-oxidative and anti-inflammatory activity.
[Definition]

ChEBI: Oxypaeoniflorin is a monoterpene glycoside with formula C23H28O12, isolated from several species of Paeoniae. It has a role as a plant metabolite. It is a cyclic acetal, a lactol, a bridged compound, a beta-D-glucoside, a 4-hydroxybenzoate ester and a monoterpene glycoside.
[in vivo]

Oxypaeoniflorin (OPA; 10-40 mg/kg; intragastrical administration; every day; for 30 days) treatment significantly reduces disruption of cardiac function and improves the indicators of ejection fraction (EF) and fractional shortening (FS). Oxypaeoniflorin significantly reduces the release of myocardial infarction-related factors, such as the creatine kinase (CK-MB), cardiac troponin I (cTnI) and cardiac troponin T (cTnT)[1].

Animal Model:C57BL/6 male mice (6-8 weeks of age, 20-25 g) bearing myocardial ischemia/reperfusion (MI/R) injury[1]
Dosage:10 mg/kg, 20 mg/kg, 40 mg/kg
Administration:Intragastrical administration; every day; for 30 days
Result:Significantly reduced disruption of cardiac function and improved the indicators of ejection fraction (EF) and fractional shortening (FS).
Spectrum DetailBack Directory
[Spectrum Detail]

oxypaeoniflora(39011-91-1)1HNMR
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