Xanthinin

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5541

CAS

153483-31-9

Product Name

Xanthinin

Structure

Product Details

Description

Xanthinin isolated from the herbs of Xanthium sibiricum.

Synonyms

[1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] acetate;2H-Cyclohepta[b]furan-2-one,6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-,[3aR-[3aa,6(S*),7b,8ab]]- (9CI);2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-, [3aR-[3aα,6(S*),7β,8aβ]]- (9CI)

IUPAC Name

[1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] acetate

Molecular Weight

306.4

Molecular Formula

C17H22O5

Canonical SMILES

CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2

InChI

InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3

InChIKey

DPSCQKGSAHTWSP-UHFFFAOYSA-N