3-epi-6-Deoxocastasterone
IUPAC 名称
(2S,4R,5R,7S,15S)-14-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-4,5-diol
描述
3-epi-6-deoxocastasterone belongs to tetrahydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups. 3-epi-6-deoxocastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-epi-6-deoxocastasterone can be found in common bean, green bean, and yellow wax bean, which makes 3-epi-6-deoxocastasterone a potential biomarker for the consumption of these food products.
异构
[H][C@@]12CCC3C4CCC([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)C[C@@H](O)[C@H](O)C2
InChI标识符
InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19?,20?,21?,22?,23+,24+,25+,26+,27+,28-/m0/s1
键
VXBLCLVRWCLEOX-PESMJTJASA-N