3beta-Hydroxypregna-5,16-dien-20-one
IUPAC 名称
1-[(1S,2R,5S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,13-dien-14-yl]ethan-1-one
描述
3beta-hydroxypregna-5,16-dien-20-one, also known as 16-dehydropregnenolone or 5,16-pregnadien-3beta-ol-20-one, is a member of the class of compounds known as 20-oxosteroids. 20-oxosteroids are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton. Thus, 3beta-hydroxypregna-5,16-dien-20-one is considered to be a steroid lipid molecule. 3beta-hydroxypregna-5,16-dien-20-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3beta-hydroxypregna-5,16-dien-20-one can be found in fenugreek, which makes 3beta-hydroxypregna-5,16-dien-20-one a potential biomarker for the consumption of this food product.
异构
[H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C
InChI标识符
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1
键
YLFRRPUBVUAHSR-RRPFGEQOSA-N