Atractyligenin
IUPAC 名称
7,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
描述
Atractyligenin is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Atractyligenin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Atractyligenin can be found in arabica coffee, which makes atractyligenin a potential biomarker for the consumption of this food product.
异构
CC12CC(O)CC(C1CCC13CC(CCC21)C(=C)C3O)C(O)=O
InChI标识符
InChI=1S/C19H28O4/c1-10-11-3-4-15-18(2)9-12(20)7-13(17(22)23)14(18)5-6-19(15,8-11)16(10)21/h11-16,20-21H,1,3-9H2,2H3,(H,22,23)
键
YRHWUYVCCPXYMB-UHFFFAOYSA-N