Epismilagenin
IUPAC 名称
(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'R,18'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16'-ol
描述
Epismilagenin, also known as epi-sarsasapogenin or sarsasapogenin, (3beta,5alpha,25s)-isomer, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Epismilagenin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Epismilagenin can be found in fenugreek, which makes epismilagenin a potential biomarker for the consumption of this food product.
异构
[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2
InChI标识符
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
键
GMBQZIIUCVWOCD-SGKIHABASA-N