Escin | CAS No. 6805-41-0

Escin

Basic Information

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CAS Number

6805-41-0

Molecular Formula

C33H52O4

Molecular Weight

512.78 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

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

224.5°C

Boiling Point

764.81°C (rough estimate)

Density

1.1200 (rough estimate)

Flash Point

311.8 °C

Solubility

Soluble in methanol.

Refractive Index

1.6500 (estimate)

SMILES

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CC=C(C(=O)OC1CC2C(O)CC3(C(=CCC4C3(C)CCC3C4CCCC3(C)CO)C2CC1(C)C)C)C

InChI

InChI=1S/C33H52O4/c1-8-20(2)29(36)37-28-16-22-23(17-30(28,3)4)26-12-11-25-21-10-9-14-31(5,19-34)24(21)13-15-32(25,6)33(26,7)18-27(22)35/h8,12,21-25,27-28,34-35H,9-11,13-19H2,1-7H3

InChIKey

XAVPEFBKSWBXRZ-UHFFFAOYSA-N

LogP

6.849000000000009

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

2300

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Aescine
Escin
Aescin
Chestnuts extract
AESCIN(RG)
Horse Chestnut Extract
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aS,9S,10S,12aR,14aR,14bS)-9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8R,8aS,9S,10S,12aR,14aR,14bS)-9-Acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
(2S,3S,4S,5R)-6-[[(3S,4S,4Ar,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hy
escin Ib
EscinI B
beta-Escin
AESCIN IB(SH)
QYK0D6H79O
Aescin IB
C55H86O24
escine Ib
escin-Ib
Aescine (DCF)
Reparil (TN)
8115AH
BDBM50466108
N2164
C08921
D07912
339E902
Q27895506
Aescin ,Horse Chestnut Extract
Oleanane, escin deriv,Aescin,Aescine,Aescusan,Ba 2672; Escusan,Eskuzan,Flebostasin Retard,Venocin,β-...

MDL Number

MFCD00046289

FAQ

What is Escin (CAS: 6805-41-0)?

Escin is a naturally occurring saponin compound derived from the horse chestnut tree (Aesculus hippocastanum). It has the chemical formula C46H76O23 and is known for its flavonoid structure. Escin exhibits anti-inflammatory, venotonic, and antioxidant properties, making it a valuable compound in various scientific and medicinal applications.

What are the main uses of Escin (CAS: 6805-41-0)?

Escin is primarily used in pharmaceuticals for its ability to improve venous circulation and reduce inflammation. It is also applied in the cosmetic industry for skin treatments and in research for studying vascular health. Due to its natural origin and bioactive properties, escin is often used in dietary supplements and herbal medicine.

Is Escin (CAS: 6805-41-0) safe?

Escin is generally considered safe when used as directed, with low toxicity reported in most studies. However, it should be handled with care, and protective measures such as gloves and goggles are recommended during preparation. Safety standards for escin are established in pharmaceutical and food industries to ensure its proper use and minimize potential side effects.

How should Escin (CAS: 6805-41-0) be stored?

Escin should be stored in a cool, dry, and dark place to maintain its stability and potency. It is best kept in a sealed container at a temperature below 25°C and away from moisture and direct sunlight. Proper storage conditions are essential to prevent degradation and ensure shelf life compliance.