97938-29-9
中文名称
化合物 Haploperoside E
英文名称
7-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-one
CAS
97938-29-9
分子式
C28H38O17
分子量
646.6
MOL 文件
97938-29-9.mol
结构式
基本信息
中文别名
化合物 Haploperoside E
英文别名
Haploperoside E
2H-1-Benzopyran-2-one, 7-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-6-methoxy-
7-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-one
2H-1-Benzopyran-2-one, 7-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-6-methoxy-
7-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-methoxychromen-2-one
物理化学性质
| 沸点 | 923.4±65.0 °C(Predicted) |
| 密度 | 1.62±0.1 g/cm3(Predicted) |
| 储存条件 | -20°C |
| 溶解度 | DMSO: 1mg/mL |
| 酸度系数(pKa) | 12.71±0.70(Predicted) |
| 形态 | solid |
| 主要应用 | metabolomics vitamins, nutraceuticals, and natural products |
| InChIKey | LLQBCHODNVGKSF-RVXDDWIJSA-N |
| SMILES | O[C@H]1[C@H](C)O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC)C=C(C=CC(O4)=O)C4=C3)[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O |
安全数据
| WGK Germany | WGK 3 |
| 存储类别 | 11 - Combustible Solids |