486-55-5
中文名稱
祖師麻乙素
英文名稱
DAPHNIN
CAS
486-55-5
分子式
C15H16O9
分子量
340.282
MOL 文件
486-55-5.mol
更新日期
2023/03/14 11:45:08
486-55-5 結構式
基本信息
中文別名
祖師麻乙素(白)瑞香甙
英文別名
DaphinDaphnoside
Daphnetin 7-β-D-glucopyranoside
8-Hydrroxycoumarin-7-O-glucoside
7-β-D-Glucopyranosyloxy-8-hydroxy-2H-1-benzopyran-2-one
8-Hydroxy-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranoside
8-Hydroxy-7-(β-D-glucopyranosyloxy)-2H-1-benzopyran-2-one
2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-8-hydroxy-
8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
物理化學性質(zhì)
熔點216-217 °C
比旋光度D22 -124° (15 mg in 4 ml MeOH); D22 -115° (abs MeOH) (Wessely, Sturm); D15 -84.2° (MeOH) (Hattori)
沸點670.0±55.0 °C(Predicted)
密度1.679±0.06 g/cm3(Predicted)
儲存條件-20°C, protect from light
酸度系數(shù)(pKa)6.87±0.20(Predicted)
形態(tài)Solid
顏色Light brown to khaki
InChI1S/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2/t8-,10-,12+,13-,15-/m1/s1
InChIKeyHOIXTKAYCMNVMY-PVOAASPHSA-N
SMILESO1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)Oc2c(c3[o][c](ccc3cc2)=O)O