Sambuculin A
IUPAC 名称
1,2,5,14,18,18-hexamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-yl hexadecanoate
描述
Sambuculin a is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Sambuculin a is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Sambuculin a can be found in black elderberry, which makes sambuculin a a potential biomarker for the consumption of this food product.
异构
CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(CCC4(C)CCC32C)C(C)=C)C1(C)C
InChI标识符
InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(34(2)3)26-29-43(41,6)32-33-45(36,46)8/h35-39,41H,2,10-33H2,1,3-9H3
键
BWXDHBQGBNPJMN-UHFFFAOYSA-N