Pedunculoside

CAT: 0013-GTR19159491-02Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19159491-02Size:200 mg

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Description

Pedunculoside, from leaves of Ilex chinensis, is a triterpene saponin that ameliorates high-fat diet induced hyperlipidemia in rats.

CAS Number

42719-32-4

Product Name Alternative

Pedunculoside

Purity

>98% (HPLC)

Solubility

In Vitro: DMSO : 100 mg/mL (153.65 mM)

Smiles

[C@]1 ([C@@H] (CC[C@@]2 (CC[C@]3 ([C@@]4 (CC[C@H]5[C@] ([C@H] (CC[C@@]5 ([C@H]4CC=C3[C@H]12) C) O) (C) CO) C) C) C (=O) O[C@H]1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) CO) O) O) O) C) (C) O

Molecular Formula

C36H58O10

Molecular Weight

650.84

Storage Conditions

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

Notes

For research use only.

Other Product Names

Urs-12-en-28-oic acid, 3,19,23-trihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha) -

Chemical Information

Pedunculoside

Pedunculoside is a triterpenoid saponin.

CAS Number	42719-32-4
PubChem CID	14286954
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Formula	C36H58O10
Molecular Weight	650.8
XLogP	3.5
Topological Polar Surface Area	177
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	46
Formal Charge	0
Complexity	1240

SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

InChI

InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31+,32+,33-,34-,35-,36+/m1/s1

InChIKey

LARPFJIXBULVPK-FBAXZNBGSA-N

Chemical Structure

2D Structure

CAS: 42719-32-4

CID: 14286954

Formula: C36H58O10

MW: 650.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	650.8
XLogP3	3.5
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	650.40299804
Monoisotopic Mass	650.40299804
Topological Polar Surface Area	177 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19227085-01	Hepta-acetyl Peduncloside

Alternative Products

Catalog	Name
TB0748-1000	Pedunculoside
A14782-50	Pedunculoside 50mg
A14782-10	Pedunculoside 10mg
HY-N0458R	Pedunculoside (Standard)
371795	Pedunculoside discontinued
A14782-25	Pedunculoside 25mg
A14782-5	Pedunculoside 5mg

Pedunculoside

Chemical Information

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