Actein

Inquiry

For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7187

CAS

18642-44-9

Product Name

Actein

Structure

Product Details

Description

Actein is isolated from the roots of Cimicifuga racemosa. It inhibits the proliferation of human breast cancer cells by altering the activity of the ER IP3 receptor and Na,K-ATPase, inducing calcium release and modulating the NF-κB and MEK pathways. It reduces free fatty acid and cholesterol content in the liver and inhibites the growth of human HepG2 liver cancer cells.

Synonyms

9,19-Cyclolanostane-beta-D-xylopyranoside; (3β,12β,16β,23R,24R,25S,26S)-12-(Acetyloxy)-16,23:23,26:24,25-triepoxy-26-hydroxy-9,19-cyclolanostan-3-yl β-D-xylopyranoside; Shengmating

IUPAC Name

[(1S,1'R,2S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate

Molecular Weight

676.83

Molecular Formula

C37H56O11

Canonical SMILES

CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C

InChI

InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1

InChIKey

NEWMWGLPJQHSSQ-PSDKAYTQSA-N

Melting Point

246-250 °C

Purity

≥98%

Density

1.36±0.1 g/cm3

Solubility

Soluble in Acetonitrile

Appearance

White solid