Oxypaeoniflorin

CAT: 0013-GTR19170853-08Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19170853-08Size:100 mg

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Description

Oxypaeoniflorin is a monoterpene glycoside from Paeonia species, exhibiting antioxidant, neuroprotective, and anti-inflammatory properties. It is widely used in neuroscience and pharmacology research, with applications in both in vitro cell-based assays and in vivo models of neurological disorders and inflammation.

CAS Number

39011-91-1

Product Name Alternative

Anti-oxidant, anti-inflammatory, CK-MB, monoterpene, inhibit, Oxypaeoniflora, Oxypaeoniflorin, neuroprotective, Inhibitor, Foxo1, glycoside, Sirt1

Purity

97.50% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (8.06 mM) ; DMSO:100 mg/mL (201.43 mM)

Smiles

[H][C@@]12C[C@@]3 (O[C@]4 ([H]) O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O) [C@]1 (COC (=O) c1ccc (O) cc1) [C@@]1 ([H]) O[C@]2 (O) C[C@]3 (C) O1

Molecular Formula

C23H28O12

Molecular Weight

496.46

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Oxypaeoniflorin

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 beta-D-glucoside, a bridged compound, a lactol, a cyclic acetal, a monoterpene glycoside and a 4-hydroxybenzoate ester.

CAS Number	39011-91-1
PubChem CID	21631105
IUPAC Name	[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
Molecular Formula	C23H28O12
Molecular Weight	496.5
XLogP	-1.4
Topological Polar Surface Area	185
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	879

SMILES

C[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)CO)O)O)O)O

InChI

InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1

InChIKey

FCHVXNVDFYXLIL-WRJNSLSBSA-N

Chemical Structure

2D Structure

CAS: 39011-91-1

CID: 21631105

Formula: C23H28O12

MW: 496.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	496.5
XLogP3	-1.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	496.15807632
Monoisotopic Mass	496.15807632
Topological Polar Surface Area	185 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	879
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TO003023	Oxypaeoniflorin
371779	Oxypaeoniflorin discontinued
HY-N0748R	Oxypaeoniflorin (Standard)

Oxypaeoniflorin

Chemical Information

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