5-Stigmastene-3beta,7alpha-diol
IUPAC 名称
(2R,5S,9S,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol
描述
5-stigmastene-3beta,7alpha-diol 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. 5-stigmastene-3beta,7alpha-diol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5-stigmastene-3beta,7alpha-diol can be found in pineapple, which makes 5-stigmastene-3beta,7alpha-diol a potential biomarker for the consumption of this food product.
异构
CC[C@H](CC[C@@H](C)C1CCC2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
InChI标识符
InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23?,24?,25?,26-,27?,28+,29-/m1/s1
键
SXJVFYZNUGGHRG-DABQDANMSA-N