Nootkatol
IUPAC 名称
4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
描述
Nootkatol is a member of the class of compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. Nootkatol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Nootkatol can be found in sweet orange, which makes nootkatol a potential biomarker for the consumption of this food product.
异构
CC1CC(O)C=C2CCC(CC12C)C(C)=C
InChI标识符
InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3
键
GFNWRKNVTHDNPV-UHFFFAOYSA-N