IUPAC 名称
(1S,3R,4R,21R,22S)-10,10,14,15,16,28,28,32,33,34-decahydroxy-3-(hydroxymethyl)-2,5,20,23,38-pentaoxaheptacyclo[19.17.0.0⁴,²².0⁷,¹².0¹³,¹⁸.0²⁵,³⁰.0³¹,³⁶]octatriaconta-7,13(18),14,16,25,31(36),32,34-octaen-6,9,11,19,24,27,29,37-octone
描述
Brevilagin i is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Brevilagin i can be found in common grape, which makes brevilagin i a potential biomarker for the consumption of this food product.
InChI标识符
InChI=1S/C34H24O24/c35-5-12-23-24-25(57-28(46)6-1-10(36)19(40)21(42)15(6)17-8(29(47)55-23)3-13(38)33(50,51)26(17)44)32(54-12)58-31(49)7-2-11(37)20(41)22(43)16(7)18-9(30(48)56-24)4-14(39)34(52,53)27(18)45/h1-4,12,17-18,23-25,32,35-37,40-43,50-53H,5H2/t12-,17?,18?,23-,24+,25-,32+/m1/s1