CAS 219944-39-5|Isoescin IA

Introduction：Basic information about CAS 219944-39-5|Isoescin IA, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Isoescin IA BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Isoescin IA
CAS Number	219944-39-5	Molecular Weight	1131.257
Density	1.5±0.1 g/cm3	Boiling Point	1148.1±65.0 °C at 760 mmHg
Molecular Formula	C₅₅H₈₆O₂₄	Melting Point	/
MSDS	/	Flash Point	314.2±27.8 °C

Names

Name	(3β,16α,21β,22α)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid
Synonym	More Synonyms

Isoescin IA BiologicalActivity

Description	Isoescin IA is a triterpenoid saponin isolated from the seeds of Aesculus chinensis. Isoescin IA has anti-HIV-1 protease activity[1].
Related Catalog	Research Areas >>InfectionSignaling Pathways >>Metabolic Enzyme/Protease >>HIV Protease
References	[1]. Yang XW, et al. Anti-HIV-1 protease triterpenoid saponins from the seeds of Aesculus chinensis. J Nat Prod. 1999 Nov;62(11):1510-3.

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	1148.1±65.0 °C at 760 mmHg
Molecular Formula	C₅₅H₈₆O₂₄
Molecular Weight	1131.257
Flash Point	314.2±27.8 °C
Exact Mass	1130.550903
LogP	2.17
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.628
InChIKey	YOSIWGSGLDDTHJ-IVKVKCDBSA-N
SMILES	CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C

Synonyms

2-butenoic acid, 2-methyl-, (3β,16α,21β,22α)-28-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranuronosyl]oxy]-16,22,24-trihydroxyolean-12-en-21-yl ester, (2E)-

2-Butenoic acid, 2-methyl-, (3β,16α,21β,22α)-28-(acetyloxy)-3-[[O-β-D-glucopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranuronosyl]oxy]-16,22,24-trihydroxyolean-12 
-en-21-yl ester, (2E)-

(3β,16α,21β,22α)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid

(3β,16α,21β,22α)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2E)-2-methyl-2-butenoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic 
 acid

Isoescin IA

Aescin C

Escin IVa

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