4,4-dimethyl-5α-cholest-7-en-3β-ol
IUPAC 名称
(1R,2R,5S,7R,11R,14R,15R)-2,6,6,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol
描述
4,4-dimethyl-5α-cholest-7-en-3β-ol belongs to cholesterols and derivatives class of compounds. Those are compounds containing a 3-hydroxylated cholestane core. Thus, 4,4-dimethyl-5α-cholest-7-en-3β-ol is considered to be a sterol lipid molecule. 4,4-dimethyl-5α-cholest-7-en-3β-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4,4-dimethyl-5α-cholest-7-en-3β-ol can be found in a number of food items such as sesame, annual wild rice, cucumber, and malabar spinach, which makes 4,4-dimethyl-5α-cholest-7-en-3β-ol a potential biomarker for the consumption of these food products. 4,4-dimethyl-5α-cholest-7-en-3β-ol may be a unique S.cerevisiae (yeast) metabolite.
异构
[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
InChI标识符
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24+,25+,26+,28-,29-/m1/s1
键
UVNXFLZMQCAWCP-RCTKLBHESA-N