Obacunone

Inquiry

For Research Use Only.

Category

Triterpenoids

Cat.No.

NP6982

CAS

751-03-1

Product Name

Obacunone

Structure

Product Details

Description

Obacunone is a natural triterpenoid found in the barks of Phellodendron chinense, it exhibits the activity of antivirulence effect on S. Typhimurium. Obacunone also has cytotoxicity in androgen-dependent human prostate cancer cells.

Synonyms

Oxireno(4,4A)-2-benzopyrano(6,5-G)(2)benzoxepin-3,5,9(3ah,4bh,6H)-trione, 1-(3-furanyl)-1,6A,7,11A,11B,12,13,13A-octahydro-4B,7,7,11A,13A-pentamethyl-, (1S,3as,4ar,4br,6ar,11ar,11br,11br,13as)-

IUPAC Name

(1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione

Molecular Weight

454.5

Molecular Formula

C26H30O7

Canonical SMILES

CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C

InChI

InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1

InChIKey

MAYJEFRPIKEYBL-OASIGRBWSA-N

Purity

>98%

Density

1.32 g/cm3

Appearance

Powder

Application

antivirulence

Form

Powder