Isoscabertopin

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5735

CAS

439923-16-7

Product Name

Isoscabertopin

Structure

Product Details

Description

Isoscabertopin is a natural sesquiterpenoid found in the herbs of Elephantopus scaber L. Isoscabertopin exhibits anticancer activity.

Synonyms

Isoscabertopin; Scabertopin; 439923-16-7; [(3S,4R,8R,9E,12R)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate; 185213-52-9

IUPAC Name

[(3S,4R,8R,9E,12R)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate

Molecular Weight

358.39

Molecular Formula

C20H22O6

Canonical SMILES

CC=C(C)C(=O)OC1CC2=CC(CC(=CC3C1C(=C)C(=O)O3)C)OC2=O

InChI

InChI=1S/C20H22O6/c1-5-11(3)18(21)25-16-9-13-8-14(24-20(13)23)6-10(2)7-15-17(16)12(4)19(22)26-15/h5,7-8,14-17H,4,6,9H2,1-3H3/b10-7+,11-5-/t14-,15-,16+,17+/m1/s1

InChIKey

FTPHYXGWMIZVMP-GAFRNKKQSA-N

Boiling Point

592.7±50.0 °C(Predicted)

Purity

>96%

Density

1.24±0.1 g/cm3(Predicted)

Appearance

Powder

Application

anticancer

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