Demethylsonchifolin

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For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5700

CAS

956384-55-7

Product Name

Demethylsonchifolin

Structure

Product Details

Description

Demethylsonchifolin is a natural sesquiterpenoid found in the herbs of Smallanthus sonchifolius.

Synonyms

(3aR,4R,6E,10E,11aR)-2,3,3a,4,5,8,9,11a-Octahydro-10-methyl-3-methylene-4-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2-oxocyclodeca[b]furan-6-carboxylic acid

IUPAC Name

(3aR,4R,6E,10E,11aR)-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

Molecular Weight

360.41

Molecular Formula

C20H24O6

Canonical SMILES

CC=C(C)C(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)C)C(=O)O

InChI

InChI=1S/C20H24O6/c1-5-12(3)19(23)25-16-10-14(18(21)22)8-6-7-11(2)9-15-17(16)13(4)20(24)26-15/h5,8-9,15-17H,4,6-7,10H2,1-3H3,(H,21,22)/b11-9+,12-5-,14-8+/t15-,16-,17+/m1/s1

InChIKey

IOPBGRHISQTQKP-AAUAWEGASA-N

Boiling Point

563.2±50.0 °C(Predicted)

Purity

>95%

Density

1.21±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

4.49±0.60(Predicted)

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