Corilagin（CAS号：23094-69-1）

柯里拉京

基本信息

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CAS号

23094-69-1

分子式

C27H22O18

分子量

634.46 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Powder

熔点

>200°C dec

沸点

1280.8±65.0 °C at 760 mmHg

密度

2.1±0.1 g/cm3

闪点

418.8±27.8 °C

溶解度

H2O: soluble1mg/mL, clear, colorless

折射率

1.88

SMILES

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C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O

InChI

InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19+,22+,23-,27+/m1/s1

InChIKey

TUSDEZXZIZRFGC-WADXKLOKSA-N

LogP

-0.2965000000000005

拓扑极性表面积

310.66 Å²

氢键供体/受体

11 / 18

复杂度

1090

安全信息

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储存条件

2-8℃

同义词与引用数据

英文

s9090
CHEBI:3884
(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0^{4,9}.0^{10,15}]tricosa-4,6,8,10,12,14-hexaen-21-yl 3,4,5-trihydroxybenzoate
MFCD00238565
NP-004255
[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate
CHEMBL449392
(beta-1-O-galloyl-3,6-(R)-hexahydroxydiphenoyl-d-glucose)
AKOS015896840
Corilagin,(S)
GLXC-20959
BDBM50242279
6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4(9),5,7,10(15),11,13-hexaene
6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,4,5-trihydroxyphenylcarbonyloxy)-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene
Q909822
2088321-44-0
Corilagin
DTXSID301104707
1-O-galloyl-3,6-hexahydroxydiphenic acid-beta-D-glucopyranose
Corilagin, analytical standard
Q-100295
23094-69-1
.beta.-D-Glucopyranose, cyclic 3,6-[(1R)-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)
Corillagin
beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)
CCG-270295
3-O,6-O-[carbonyl(4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl)carbonyl]-1-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose
SCHEMBL329080
corilagin
B-D-GLUCOPYRANOSE, CYCLIC 3,6-(4,4',5,5',6,6'-HEXAHYDROXY[1,1'-BIPHENYL]-2,2'-DICARBOXYLATE)1-(3,4,5-TRIHYDROXYBENZOATE), (R)-
1-O-GALLOYL-3,6-HEXAHYDROXYDIPHENOYL-BETA-D-GLUCOPYRANOSE