2-Deoxy-28-homocastasterone
IUPAC 名称
(2R,5R,7S,15S)-14-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one
描述
2-deoxy-28-homocastasterone belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. 2-deoxy-28-homocastasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2-deoxy-28-homocastasterone can be found in common bean, green bean, and yellow wax bean, which makes 2-deoxy-28-homocastasterone 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@@H](CC)C(C)C
InChI标识符
InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3/t17-,18+,19-,20?,21?,22?,23?,24+,26+,27+,28+,29+/m0/s1
键
DYENWMUXSKPFLC-DFLWBBLWSA-N