ent-7α-hydroxykaur-16-en-19-oate
IUPAC 名称
2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
描述
Ent-7α-hydroxykaur-16-en-19-oate 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. Ent-7α-hydroxykaur-16-en-19-oate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ent-7α-hydroxykaur-16-en-19-oate can be found in a number of food items such as greenthread tea, cardamom, agave, and hickory nut, which makes ent-7α-hydroxykaur-16-en-19-oate a potential biomarker for the consumption of these food products.
异构
CC12CCCC(C)(C1CC(O)C13CC(CCC21)C(=C)C3)C(O)=O
InChI标识符
InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)
键
KMLXVEXJZSTMBV-UHFFFAOYSA-N