97938-29-9
中文名稱
化合物 Haploperoside E
英文名稱
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
97938-29-9 結(jié)構(gòu)式
基本信息
中文別名
化合物 Haploperoside E 英文別名
Haploperoside E2H-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
物理化學(xué)性質(zhì)
沸點923.4±65.0 °C(Predicted)
密度1.62±0.1 g/cm3(Predicted)
儲存條件-20°C
溶解度DMSO: 1mg/mL
酸度系數(shù)(pKa)12.71±0.70(Predicted)
形態(tài)solid
主要應(yīng)用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChIKeyLLQBCHODNVGKSF-RVXDDWIJSA-N
SMILESO[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