Benzoyloxypaeoniflorin

CAT: 0013-GTR19169308-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19169308-01Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

Benzoyloxypaeoniflorin is a natural compound studied for its anti-thrombotic properties, as it inhibits platelet aggregation and blood coagulation. Research applications include investigating its mechanisms in cardiovascular models and its potential effects on blood circulation in both in vitro and in vivo experimental settings.

CAS Number

72896-40-3

Product Name Alternative

Tyrosinase, Benzoyloxypaeoniflorin, Benzoyloxypeoniflorin, Inhibitor, inhibit, NF-κB, NFkB, NF-kB, NFκB, Nuclear factor-kappaB, Nuclear factor-κB

Field of Research

Protein Biochemistry, Signal Transduction

Purity

97.64% (May vary between batches)

Solubility

DMSO:140 mg/mL (233.11 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.67 mM)

Smiles

[H][C@@]12C[C@@]3 (O[C@]4 ([H]) O[C@H] (COC (=O) c5ccccc5) [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

C30H32O13

Molecular Weight

600.57

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Benzoyloxypaeoniflorin

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.

CAS Number	72896-40-3
PubChem CID	21631107
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
Molecular Formula	C30H32O13
Molecular Weight	600.6
XLogP	0.3
Topological Polar Surface Area	191
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Heavy Atom Count	43
Formal Charge	0
Complexity	1110

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)COC(=O)C7=CC=CC=C7)O)O)O)O

InChI

InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1

InChIKey

VIWQCBZFJFSCLC-HRCYFWENSA-N

Chemical Structure

2D Structure

CAS: 72896-40-3

CID: 21631107

Formula: C30H32O13

MW: 600.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	600.6
XLogP3	0.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Exact Mass	600.18429107
Monoisotopic Mass	600.18429107
Topological Polar Surface Area	191 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1110
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
T4S1658-01	Benzoyloxypaeoniflorin
371223	Benzoyloxypaeoniflorin discontinued

Benzoyloxypaeoniflorin

Chemical Information

Alternative Products

Popular Products