Corilagin | CAS No. 23094-69-1

Corilagin

Basic Information

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CAS Number

23094-69-1

Molecular Formula

C27H22O18

Molecular Weight

634.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

>200°C dec

Boiling Point

1280.8±65.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Flash Point

418.8±27.8 °C

Solubility

H2O: soluble1mg/mL, clear, colorless

Refractive Index

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

Topological Polar Surface Area

310.66 Å²

Hydrogen Bond Donor/Acceptor

11 / 18

Complexity

1090

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

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