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219944-39-5

219944-39-5 Structure

219944-39-5 Structure
IdentificationBack Directory
[Name]

(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-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]

219944-39-5
[Synonyms]

Aescin C
Escin IVa
Isoescin Ia
Isoescin IA(Isoaescin IA)
Escin Impurity 3(Isoescin IA)
β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-28-(acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-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-[[(2E)-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]

MFCD12031629
[MOL File]

219944-39-5.mol
[Molecular Weight]

1131.26
Chemical PropertiesBack Directory
[Boiling point ]

1148.1±65.0 °C(Predicted)
[density ]

1.46
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in methanol;
[form ]

powder
[pka]

2.63±0.70(Predicted)
[color ]

White - beige
[Water Solubility ]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332
[Precautionary statements ]

P261-P264-P270-P271-P304+P340+P312-P501
Hazard InformationBack Directory
[Uses]

food and beverages
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-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(219944-39-5)1HNMR
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