18463-25-7
18463-25-7 结构式
基本信息
中文别名
尼格拉辛4-羟基-2-(羟基甲基)苯基 6-苯甲酰 BETA-D-吡喃葡萄糖苷
英文别名
NigracinXylosmoside
Poliothyrsoside
β-D-Glucopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 6-benzoate
beta-D-Glucopyranoside 4-hydroxy-2-(hydroxymethyl)phenyl 6-benzoate
所属类别
天然产物：酚类物理化学性质
熔点205 °C (decomp)
沸点677.6±55.0 °C(Predicted)
密度1.485±0.06 g/cm3(Predicted)
储存条件-20°C
酸度系数(pKa)9.92±0.20(Predicted)
形态solid
生物来源plant
主要应用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChI1S/C20H22O9/c21-9-12-8-13(22)6-7-14(12)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
InChIKeyFLROYCKIIJCTDY-BFMVXSJESA-N
SMILESO1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(=O)c3ccccc3)O)O)O)Oc2c(cc(cc2)O)CO
