Ergost-4-en-3-one
IUPAC 名称
(1S,2R,10S,11S,14R,15R)-14-[(2R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
描述
Ergost-4-en-3-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ergost-4-en-3-one can be found in soy bean, which makes ergost-4-en-3-one a potential biomarker for the consumption of this food product.
异构
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(C)C(C)C
InChI标识符
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19?,20-,23+,24-,25+,26+,27+,28-/m1/s1
键
QQIOPZFVTIHASB-SRGSQMPJSA-N