Deoxyelephantopin

Datasheet MSDS
Catalog Number
ANC00062
Product Name
Deoxyelephantopin
Structure
Deoxyelephantopin
CAS Number
29307-03-7
IUPAC Name
(10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl) 2-methylprop-2-enoate
Synonyms
2-Methylpropenoicacid(3aR,4S,9R,11E,12aR)-2,3,3a,4,5,9,10,12a-octahydro-2,7-dioxo-11-methyl-3-methylene-7H-9,6-methenofuro[2,3-f]oxacycloundecin-4-ylester
Molecular Formula
C19H20O6
Molecular Weight
344.36
Appearance
Powder
Purity
>97%
Density
1.26±0.1g/cm3 (Predicted)
Melting Point
198-200°C
Boiling Point
584.3±50.0°C (Predicted)
Description
Deoxyelephantopin is a bioactive natural sesquiterpene lactone from Elephantopusscaber. It can be widely used in cancer research. Deoxyelephantopin inhibits NF-κB, MAPK, PI3K/Akt and β-catenin signaling.
SMILES
CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2
InChI
InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3
InChI Key
JMUOPRSXUVOHFE-UHFFFAOYSA-N
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