F-Tigogenin
IUPAC 名称
(1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-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
Neotigogenin, also known as (25s)-5alpha-spirostan-3beta-ol or (3beta,5alpha,25s)-spirostan-3-ol, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Thus, neotigogenin is considered to be a sterol lipid molecule. Neotigogenin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Neotigogenin can be found in fenugreek, garden tomato, and garden tomato (variety), which makes neotigogenin a potential biomarker for the consumption of these food products. .
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+/m0/s1
键
GMBQZIIUCVWOCD-PUHUBZITSA-N