Pedunculoside

Inquiry

For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7030

CAS

42719-32-4

Product Name

Pedunculoside

Structure

Product Details

Description

Pedunculoside comes from the barks of Ilex rotunda Thunb. It shows anti-inflammatory activity.

Synonyms

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

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 Weight

650.84

Molecular Formula

C36H58O10

Canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(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

Purity

>98%

Density

1.31 g/cm3

Appearance

White powder

Application

Anti-inflammatory

Form

Powder