31-Norcycloartanol
IUPAC 名称
(1S,3R,6S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol
描述
31-norcycloartanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 31-norcycloartanol can be found in a number of food items such as green bell pepper, red bell pepper, dandelion, and pepper (c. annuum), which makes 31-norcycloartanol a potential biomarker for the consumption of these food products.
异构
[H][C@@]12CC[C@]3([H])[C@@]4(C[C@]14CC[C@H](O)C2C)CC[C@]1(C)[C@H](CC[C@@]31C)[C@H](C)CCCC(C)C
InChI标识符
InChI=1S/C29H50O/c1-19(2)8-7-9-20(3)22-12-14-27(6)25-11-10-23-21(4)24(30)13-15-28(23)18-29(25,28)17-16-26(22,27)5/h19-25,30H,7-18H2,1-6H3/t20-,21?,22-,23+,24+,25+,26-,27+,28-,29+/m1/s1
键
RXPPOAQPYLFCAS-TUHQVYAESA-N