3-O-(beta-D-Glucopyranosyl)-soyasapogenol B
IUPAC 名称
(2R,3R,4S,5S,6R)-2-{[(3S,4R,6aR,6bS,8aR,9R,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
描述
3-o-(beta-d-glucopyranosyl)-soyasapogenol b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-o-(beta-d-glucopyranosyl)-soyasapogenol b can be found in soy bean, which makes 3-o-(beta-d-glucopyranosyl)-soyasapogenol b a potential biomarker for the consumption of this food product.
异构
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)C2C1
InChI标识符
InChI=1S/C36H60O8/c1-31(2)16-21-20-8-9-24-33(4)12-11-26(44-30-29(42)28(41)27(40)22(18-37)43-30)34(5,19-38)23(33)10-13-36(24,7)35(20,6)15-14-32(21,3)25(39)17-31/h8,21-30,37-42H,9-19H2,1-7H3/t21?,22-,23?,24?,25-,26+,27-,28+,29-,30+,32-,33+,34+,35-,36-/m1/s1
键
SOMDRJIVEKIXDG-DNKSPJKBSA-N