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ChemicalBook--->CAS DataBase List--->219944-46-4

219944-46-4

219944-46-4 Structure

219944-46-4 Structure
IdentificationBack Directory
[Name]

(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid
[CAS]

219944-46-4
[Synonyms]

Aescin D
Escin IVb
Isoescin Ib
Isoescin IB(Isoaescin IB)
Escin Impurity 4(Isoescin IB)
β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-28-(acetyloxy)-16,22,23-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-
(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-4)]-beta-D-glucopyranosiduronic acid
[Molecular Formula]

C55H86O24
[MDL Number]

MFCD12031630
[MOL File]

219944-46-4.mol
[Molecular Weight]

1131.26
Chemical PropertiesBack Directory
[Boiling point ]

1148.1±65.0 °C(Predicted)
[density ]

1.46
[storage temp. ]

-20°C
[solubility ]

Soluble in methanol;
[form ]

powder
[pka]

2.63±0.70(Predicted)
[color ]

White
[Water Solubility ]

slightly soluble in water
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332
[Precautionary statements ]

P301+P312+P330-P304+P340+P312
Questions And AnswerBack Directory
[Chemical Properties]

The saponins found in escin exist in two forms, β-escin and α-escin, which can be distinguished by melting point, hemolytic index, specific rotation and solubility in water. β-Escin (mainly consisting of escin Ia and escin Ib) is the major active ingredient in horse chestnut seeds extracts.

[Pharmacological Action]

Escin exhibits remarkable anti-inflammatory, anti-edematous and vasoprotective properties in a dose-dependent manner which are quite evident at 10-6–10-7 M. Escin has been traditionally used to treat conditions such as chronic venous insufficiency, hemorrhoids, inflammation and cerebral ischemic damage.

[Escin Ia & Isoescin Ib]

As the minor component of escin, α-escin (mainly consisting of isoescin Ia and isoescin Ib) exhibits lower bioactivity. Similar to isoescin Ia is the isomer of escin Ia, Isoescin Ib is an isomer of escin Ib. Both of them were found to be isomerizable in vitro. Escin Ib and isoescin Ib exhibits stronger pharmacological activity than escin Ia and isoescin Ia. As the result, pharmacokinetics study of them would be helpful for improving the practice of escin application.

Spectrum DetailBack Directory
[Spectrum Detail]

Isoescin IB(219944-46-4)1HNMR
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