80443-15-8 (金合欢素-7-O-β-D-吡喃半乳糖苷,Acacetin 7-O-β-D-Galactopyranoside)

快速询单

结构式：

金合欢素-7-O-β-D-吡喃半乳糖苷MOL文件

CAS号：

80443-15-8

中文名称：

金合欢素-7-O-β-D-吡喃半乳糖苷

英文名称：

Acacetin 7-O-β-D-Galactopyranoside

分子式：

C₂₂H₂₂O₁₀

分子量：

446.404087543488

金合欢素-7-O-β-D-吡喃半乳糖苷(80443-15-8)名称与标识符

名称

中文别名：

刺槐黄素7-O-beta-D-吡喃半乳糖苷;金合欢素-7-O-β-D-吡喃半乳糖苷;刺槐素7-O-β-D-吡喃半乳糖苷;

英文别名：

Acacetin 7-O-β-D-Galactopyranoside;7-(β-D-Galactopyranosyloxy)-5-hydroxy-2-(4-Methoxyphenyl)-;tilianin;7-(β-D-Galactopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one (ACI);7-(beta-D-galactopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;80443-15-8;AKOS030556308;A-D-galactopyranoside;Acacetin-7-O-beta-D-galactopyranoside;Acacetin, 7-O-.beta.-D-galactopyranoside;Acacetin 7-O-;SCHEMBL4801909;Acacetin-7-O-.beta.-D-galactopyranoside;5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;CHEMBL487994;CHEBI:65361;5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-galactopyranoside;Q27133803;Acacetin 7-O-beta-D-Galactopyranoside;4H-1-Benzopyran-4-one, 7-(.beta.-D-galactopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-;Acacetin-7-O-;HY-W742564;5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one;5-Hydroxy-2-(4-methoxyphenyl)-7-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one;CS-0788701;5,7-dihydroxy-4'-methoxyflavone-7-O-beta-D-galactopyranoside;TS-10238;7-(beta-D-Galactopyranosyloxy)-5-hydroxy-2-(4-Methoxyphenyl)-;DA-60542;5-hydroxy-2-(4-methoxyphenyl)-7-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one;

标识符

InChIKey：

NLZCOTZRUWYPTP-WHCFWRGISA-N

Inchi：

1S/C22H22O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19+,20+,21-,22-/m1/s1

SMILES：

O=C1C=C(C2C=CC(OC)=CC=2)OC2C=C(C=C(C1=2)O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1

金合欢素-7-O-β-D-吡喃半乳糖苷(80443-15-8)物化性质

实验特性

LogP : 0.35290
PSA : 159.05000

计算特性

精确分子量 : 446.12129689g/mol
氢键供体数量 : 5
氢键受体数量 : 10
可旋转化学键数量 : 5
同位素质量 : 446.12129689g/mol
重原子数量 : 32
复杂度 : 690
同位素原子数量 : 0
确定原子立构中心数量 : 5
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.3
拓扑分子极性表面积 : 155Å²

金合欢素-7-O-β-D-吡喃半乳糖苷(80443-15-8)推荐厂家更多厂家(15)

公司名称	手机号/电话	联系人	QQ	询单
江苏永健医药科技有限公司	17701422016	韩经理	3587493084	询单
成都瑞芬思德丹生物科技有限公司	18981954830 028-82651368	王红霞	2355253622	询单
江苏永健医药科技有限公司	17701422016	韩经理	3587493084	询单
江苏永健医药科技有限公司	17701422016	韩经理	3587493084	询单
湖北萃园生物科技有限公司	18162756256 027-84759766	金生 Jeremy	1197063825	询单
西安德而塔生物科技有限公司	18133906270 18133906270	张女士	2590956145	询单
西安德而塔生物科技有限公司	18133906270 18133906270	张女士	2590956145	询单
西安德而塔生物科技有限公司	18133906270 18133906270	张女士	2590956145	询单
天津普西唐生物医药科技有限公司	15801484223 15801484223	唐召锋	3003463702	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单

金合欢素-7-O-β-D-吡喃半乳糖苷(80443-15-8)合成路线

合成路线：1 步

80443-10-3

_82%

80443-15-8

反应条件：

1.1 Reagents: Ammonia Solvents: Methanol ; 24 h, rt

参考文献：

Facile synthesis of acacetin-7-O-β-D-galactopyranoside

Zacharia, James T.; et al, Carbohydrate Research, 2012, 348, 91-94

合成路线：1 步

80443-10-3

_67%

80443-15-8

反应条件：

1.1 Reagents: Ammonia Solvents: Methanol , Water ; 12 h, rt

参考文献：

Semi-synthesis of apigenin and acacetin-7-O-β-D-glycosides from naringin and their cytotoxic activities

Liu, Jidan; et al, Carbohydrate Research, 2012, 357, 41-46

合成路线：2 步

3068-32-4

480-44-4

80443-15-8

反应条件：

1.1 Reagents: Potassium carbonate , Tetrabutylammonium bromide Solvents: Chloroform , Water ; 12 h, 45 °C
2.1 Reagents: Ammonia Solvents: Methanol , Water ; 12 h, rt

参考文献：

Semi-synthesis of apigenin and acacetin-7-O-β-D-glycosides from naringin and their cytotoxic activities

Liu, Jidan; et al, Carbohydrate Research, 2012, 357, 41-46

合成路线：2 步

4163-44-4

480-44-4

80443-15-8

反应条件：

1.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ; 1.5 h, -20 °C; 2 h, -5 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
2.1 Reagents: Ammonia Solvents: Methanol ; 24 h, rt

参考文献：

Facile synthesis of acacetin-7-O-β-D-galactopyranoside

Zacharia, James T.; et al, Carbohydrate Research, 2012, 348, 91-94

合成路线：2 步

4163-45-5

480-44-4

80443-15-8

反应条件：

1.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ; 1.5 h, -20 °C; 2 h, -5 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
2.1 Reagents: Ammonia Solvents: Methanol ; 24 h, rt

参考文献：

Facile synthesis of acacetin-7-O-β-D-galactopyranoside

Zacharia, James T.; et al, Carbohydrate Research, 2012, 348, 91-94

合成路线：3 步

480-66-0

100-07-2

80443-15-8

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Acetone ; 10 min, rt
1.2 24 h, reflux
2.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ; 1.5 h, -20 °C; 2 h, -5 °C
2.2 Reagents: Sodium bicarbonate Solvents: Water
3.1 Reagents: Ammonia Solvents: Methanol ; 24 h, rt

参考文献：

Facile synthesis of acacetin-7-O-β-D-galactopyranoside

Zacharia, James T.; et al, Carbohydrate Research, 2012, 348, 91-94

合成路线：3 步

17306-46-6

77-78-1

80443-15-8

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Water ; 30 min, 10 - 25 °C; 6 h, 10 - 25 °C
1.2 Reagents: Sulfuric acid Solvents: Water ; 10 - 25 °C; 8 h, reflux
2.1 Reagents: Potassium carbonate , Tetrabutylammonium bromide Solvents: Chloroform , Water ; 12 h, 45 °C
3.1 Reagents: Ammonia Solvents: Methanol , Water ; 12 h, rt

参考文献：

Semi-synthesis of apigenin and acacetin-7-O-β-D-glycosides from naringin and their cytotoxic activities

Liu, Jidan; et al, Carbohydrate Research, 2012, 357, 41-46

合成路线：3 步

4163-60-4

80443-15-8

反应条件：

1.1 Reagents: Pyridine, hydrofluoride (1:1) ; 4 h, rt
1.2 Reagents: Sodium carbonate Solvents: Water ; pH 7
2.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ; 1.5 h, -20 °C; 2 h, -5 °C
2.2 Reagents: Sodium bicarbonate Solvents: Water
3.1 Reagents: Ammonia Solvents: Methanol ; 24 h, rt

参考文献：

Facile synthesis of acacetin-7-O-β-D-galactopyranoside

Zacharia, James T.; et al, Carbohydrate Research, 2012, 348, 91-94

合成路线：4 步

100-09-4

80443-15-8

反应条件：

1.1 Reagents: Thionyl chloride ; 2 h, 60 °C
2.1 Reagents: Potassium carbonate Solvents: Acetone ; 10 min, rt
2.2 24 h, reflux
3.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ; 1.5 h, -20 °C; 2 h, -5 °C
3.2 Reagents: Sodium bicarbonate Solvents: Water
4.1 Reagents: Ammonia Solvents: Methanol ; 24 h, rt

参考文献：

Facile synthesis of acacetin-7-O-β-D-galactopyranoside

Zacharia, James T.; et al, Carbohydrate Research, 2012, 348, 91-94

合成路线：4 步

10236-47-2

80443-15-8

反应条件：

1.1 Reagents: Iodine Solvents: Pyridine ; 2 h, rt → 95 °C
2.1 Reagents: Sodium hydroxide Solvents: Water ; 30 min, 10 - 25 °C; 6 h, 10 - 25 °C
2.2 Reagents: Sulfuric acid Solvents: Water ; 10 - 25 °C; 8 h, reflux
3.1 Reagents: Potassium carbonate , Tetrabutylammonium bromide Solvents: Chloroform , Water ; 12 h, 45 °C
4.1 Reagents: Ammonia Solvents: Methanol , Water ; 12 h, rt

参考文献：

Semi-synthesis of apigenin and acacetin-7-O-β-D-glycosides from naringin and their cytotoxic activities

Liu, Jidan; et al, Carbohydrate Research, 2012, 357, 41-46

合成路线：5 步

99-96-7

74-88-4

80443-15-8

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Acetone ; rt; 3 h, reflux
2.1 Reagents: Thionyl chloride ; 2 h, 60 °C
3.1 Reagents: Potassium carbonate Solvents: Acetone ; 10 min, rt
3.2 24 h, reflux
4.1 Catalysts: Boron trifluoride etherate Solvents: Dichloromethane ; 1.5 h, -20 °C; 2 h, -5 °C
4.2 Reagents: Sodium bicarbonate Solvents: Water
5.1 Reagents: Ammonia Solvents: Methanol ; 24 h, rt

参考文献：

Facile synthesis of acacetin-7-O-β-D-galactopyranoside

Zacharia, James T.; et al, Carbohydrate Research, 2012, 348, 91-94