Chebulagic acid

Basic Information

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CAS Number

23094-71-5

Molecular Formula

C41H30O27

Molecular Weight

954.66 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

>300 ºC

Solubility

Methanol; Ethanol; Acetone

SMILES

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OC(=O)C[C@@H]1C(=O)O[C@@H]2[C@H]3COC(=O)c4cc(O)c(c(c4c4c(C(=O)O[C@@H]2[C@@H](OC(=O)c2c5[C@H]1[C@H](O)C(=O)Oc5c(c(c2)O)O)[C@@H](O3)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c4O)O)O)O

InChI

InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1

InChIKey

HGJXAVROWQLCTP-YABCKIEDSA-N

LogP

-0.0017000000000003679

Topological Polar Surface Area

447.0900000000001 Å²

Hydrogen Bond Donor/Acceptor

13 / 27

Complexity

1970

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

b-D-Glucopyranose, cyclic3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate), cyclic 2?5:4?1-ester with(2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioicacid, stereoisomer
1-O-galloyl-2,4-O-chebuloyl-3,6-O-HHDP-β-D-glucose
b-D-Glucopyranose, cyclic3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylat...
b-D-Glucopyranose, cyclic3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate),
Chebulagic acid
CHEBULAGIC ACID(RG)
b-D-Glucopyranose, cyclic3,6-[(1R)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate), cyclic 2®5:4®1-ester with(2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioicacid, stereoisomer
BCP09991
2-[(5R,7R)-13,14,15,18,19,20,31,35,36-Nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)

MDL Number

MFCD09264640

FAQ

What is Chebulagic acid (CAS: 23094-71-5)?

Chebulagic acid is a hydroxycinnamic acid found in the fruits of the Terminalia chebula tree. It has a chemical formula of C15H10O8 and is characterized by its antioxidant and anti-inflammatory properties.

What are the main uses of Chebulagic acid (CAS: 23094-71-5)?

Chebulagic acid is primarily used in pharmaceuticals for its antioxidant and anti-inflammatory effects. It is also found in dietary supplements, cosmetics, and as a research compound for its potential health benefits.

Is Chebulagic acid (CAS: 23094-71-5) safe?

Chebulagic acid is generally considered safe when used appropriately. However, as with any compound, it should be handled with care and stored properly to avoid potential skin irritation or other adverse effects. Always follow safety guidelines and consult a healthcare provider if needed.

How should Chebulagic acid (CAS: 23094-71-5) be stored?

Chebulagic acid should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to protect it from moisture and light. Optimal storage conditions are below 25°C (77°F) to maintain its stability and effectiveness.