Rotundic acid

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For Research Use Only.

Size	Price	Stock	Quantity
25 mg	$298	In stock

Category

Terpenes

Cat.No.

NP6256

CAS

20137-37-5

Product Name

Rotundic acid

Structure

Product Details

Description

Rotundic acid is a triterpenoid found in the leaves of Ilex pubescens Hook. It exhibits potent tumor cell growth inhibiting properties.

Synonyms

(3beta,4alpha)-3,19,23-Trihydroxyurs-12-en-28-oic acid; Ilexolic acid A

IUPAC Name

(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-carboxylic acid

Molecular Weight

488.70

Molecular Formula

C30H48O5

Canonical SMILES

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

InChI

InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1

InChIKey

YLHQFGOOMKJFLP-LTFXOGOQSA-N

Boiling Point

622.8±55.0 °C at 760 mmHg

Melting Point

272-274°C

Flash Point

344.5±28.0 °C

Purity

>98%

Density

1.19 g/cm3

Appearance

White powder

Definition

ChEBI: A natural product found in Euscaphis japonica.

pKa

4.47±0.70(Predicted)

Refractive Index

1.581

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