3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate
public_id
FDB030469
IUPAC 名称
5-hydroxy-2,6,15-trimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-ene-6-carboxylate
描述
3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate can be found in a number of food items such as cornmint, black elderberry, garden rhubarb, and black radish, which makes 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate a potential biomarker for the consumption of these food products.
CAS号
异构
CC(C)CCCC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C([O-])=O)C3CCC12C
InChI标识符
InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/p-1
UQFZKTIHSICSPG-UHFFFAOYSA-M
平均分子量
443.353068953
id
30632
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