477-33-8
中文名称
(+)-沙米丁
英文名称
3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester
CAS
477-33-8
分子式
C21H22O7
分子量
386.4
MOL 文件
477-33-8.mol
477-33-8 结构式
基本信息
中文别名
(+)-沙米丁 英文别名
Samidin(+)-Samidin
]dipyran-9-yl ester
10-Acetoxy-8,8-dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-9-yl3-methyl-2-butenoate
3-Methyl-2-butenoic acid (9R,10R)-10-acetoxy-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester
2-Butenoic acid, 3-methyl-, (9R,10R)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester
所属类别
天然产物：香豆素物理化学性质
沸点486.8±45.0 °C(Predicted)
密度1.28±0.1 g/cm3(Predicted)
储存条件-20°C
溶解度Chloroform (Slightly), Ethyl Acetate (Slightly)
形态Solid
颜色White
主要应用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChI1S/C21H22O7/c1-11(2)10-16(24)27-20-19(25-12(3)22)17-14(28-21(20,4)5)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1
InChIKeyFNVCLGWRMXTDSM-WOJBJXKFSA-N
SMILESC\C(C)=C\C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(OC1(C)C)ccc3C=CC(=O)Oc23
