3-epi-2-Deoxy-25-methyldolichosterone
IUPAC 名称
(2R,5S,7S,15S)-14-[(2S,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one
描述
3-epi-2-deoxy-25-methyldolichosterone belongs to trihydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. 3-epi-2-deoxy-25-methyldolichosterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-epi-2-deoxy-25-methyldolichosterone can be found in common bean, green bean, and yellow wax bean, which makes 3-epi-2-deoxy-25-methyldolichosterone a potential biomarker for the consumption of these food products.
异构
[H][C@]12C[C@@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1CC2=O)[C@H](C)[C@@H](O)[C@@H](O)C(=C)C(C)(C)C
InChI标识符
InChI=1S/C29H48O4/c1-16(25(32)26(33)17(2)27(3,4)5)20-8-9-21-19-15-24(31)23-14-18(30)10-12-29(23,7)22(19)11-13-28(20,21)6/h16,18-23,25-26,30,32-33H,2,8-15H2,1,3-7H3/t16-,18-,19?,20?,21?,22?,23+,25+,26-,28+,29+/m0/s1
键
VWEHHIHNZFXYIU-NAJHMEIQSA-N