Paeoniflorin

CAT: 0013-GTR19162613-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19162613-02Size:25 mg

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Description

Paeoniflorin is a herbal constituent extracted from the root of Paeonia albiflora Pall. (In Vitro) :Paeoniflorin (80 μg/mL; 4-24 h) treatment can induce Hsp40 and Hsp27 as well as Hsp70. (In Vivo) :Paeoniflorin (intradermal injection; 25 and 100mg/kg; once daily; 20 days) shows favorable effects on experimental arthritis.

CAS Number

23180-57-6

Product Name Alternative

NSC 178886

Purity

>98% (HPLC)

Solubility

DMSO: 96mg/ml (199.81 mM) ; Water: 96mg/ml (199.81 mM) ; Ethanol: 96mg/ml (199.81 mM)

Smiles

O[C@@H] ([C@@H] ([C@@H] ([C@H] (CO) O1) O) O) [C@H]1O[C@@]2 (C3) C (C4) (C) OC5OC4 (O) C3C25COC (C6=CC=CC=C6) =O

Molecular Formula

C23H28O11

Molecular Weight

480.46

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Other Product Names

Beta-D-Glucopyranoside, 5b- ((benzoyloxy) methyl) tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta (cd) pentalen-1a (2H) -yl, (1aR- (1a-alpha,2-beta,3a-alpha,5-alpha,5a-alpha,5b-alpha) )

Chemical Information

Paeoniflorin

Paeoniflorin is a terpene glycoside.

CAS Number	23180-57-6
PubChem CID	442534
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 benzoate
Molecular Formula	C23H28O11
Molecular Weight	480.5
XLogP	-1
Topological Polar Surface Area	164
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	849

SMILES

C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O

InChI

InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1

InChIKey

YKRGDOXKVOZESV-WRJNSLSBSA-N

Chemical Structure

2D Structure

CAS: 23180-57-6

CID: 442534

Formula: C23H28O11

MW: 480.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	480.5
XLogP3	-1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Exact Mass	480.16316171
Monoisotopic Mass	480.16316171
Topological Polar Surface Area	164 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	849
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
294448-01	Paeoniflorin
461941-01	Paeoniflorin (>80%)
TBW01667	Paeoniflorin sulfite

Paeoniflorin

Chemical Information

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