Heliangin

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5738

CAS

13323-48-3

Product Name

Heliangin

Structure

Product Details

Description

Heliangin isolated from the herbs of Helianthus tuberosus L.

Synonyms

(E)-2-Methyl-2-butenoic acid [(1aR,3S,4Z,5aR,8aR,9R,10aR)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl] ester

Molecular Weight

362.4

Molecular Formula

C20H26O6

Canonical SMILES

CC=C(C)C(=O)OC1CC2(C(O2)CC(C(=CC3C1C(=C)C(=O)O3)C)O)C

InChI

1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-/t13-,14+,15+,16+,17-,20+/m0/s1

InChIKey

DZTWAOVNNLDWNH-GLKVUGPASA-N

Boiling Point

539.6±50.0 °C(Predicted)

Melting Point

237-238 °C

Flash Point

188.935°C

Purity

> 95%

Density

1.226g/cm3

Appearance

Powder

Application

cytotoxic;

Definition

ChEBI: A sesquiterpene lactone of the heliangolide group isolated from Eupatorium kiirunense and Calea rotundifolia and exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinom
cells.

pKa

13.52±0.70(Predicted)

Refractive Index

1.551

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