Pedunculoside (Standard)

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Description

Pedunculoside (Standard) is the analytical standard of Pedunculoside. This product is intended for research and analytical applications. Pedunculoside exerts lipid-lowering effects partly through the regulation of lipogenesis and fatty acid β-oxidation[1].

CAS Number

42719-32-4

UNSPSC

12352005

Target

Fatty Acid Synthase (FASN) ; Reference Standards

Type

Reference Standards

Related Pathways

Metabolic Enzyme/Protease; Others

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/pedunculoside-standard.html

Smiles

O[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)CC[C@]5(C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=O)[C@@]4([H])[C@](C)(O)[C@H](C)CC5)([H])[C@@]1(CO)C

Molecular Formula

C36H58O10

Molecular Weight

650.84

References & Citations

Ilex rotunda

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

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

Loading 3D structure...

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

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Alternative Products

Catalog	Name
TB0748-1000	Pedunculoside
A14782-50	Pedunculoside 50mg
A14782-10	Pedunculoside 10mg
371795	Pedunculoside discontinued
A14782-25	Pedunculoside 25mg
A14782-5	Pedunculoside 5mg

Pedunculoside (Standard)

Chemical Information

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