4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol
IUPAC 名称
(1R,2R,5S,6S,7R,11R,14R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol
描述
4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol, also known as 4a-methyl-4b-hydroxymethyl-5a-cholest-7-en-3b-ol, belongs to cholesterols and derivatives class of compounds. Those are compounds containing a 3-hydroxylated cholestane core. Thus, 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol is considered to be a sterol lipid molecule. 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol can be found in a number of food items such as broad bean, summer savory, hyssop, and alpine sweetvetch, which makes 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol a potential biomarker for the consumption of these food products. 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol may be a unique S.cerevisiae (yeast) metabolite.
异构
[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
InChI标识符
InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1
键
DWEXIFLNCXYYAA-QQHSWTODSA-N