ChemicalBook--->CAS DataBase List--->123748-68-5

123748-68-5

123748-68-5 Structure

123748-68-5 Structure
IdentificationBack Directory
[Name]

AESCIN IA(SH)
[CAS]

123748-68-5
[Synonyms]

Aescin A
Aescin IA
AESCIN IA(SH)
Escin IA (Aescin IA)
Escin Impurity 1(Escin IA)
2)-O-[b-D-glucopyranosyl-(1®
Aescin Ia, 98%, from Aesculus wilsonii Rehder
b-D-Glucopyranosiduronic acid, (3b,4b,16a,21b,22a)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2E)-2-Methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-glucopyranosyl-(1®
b-D-Glucopyranosiduronic acid, (3b,4b,16a,21b,22a)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-ylO-b-D-glucopyranosyl-(12)-O-[b-D-glucopyranosyl-(14)]-
β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-22-(acetyloxy)-16,23,28-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)]-
[Molecular Formula]

C55H86O24
[MDL Number]

MFCD10566608
[MOL File]

123748-68-5.mol
[Molecular Weight]

1131.26
Chemical PropertiesBack Directory
[Melting point ]

224~227℃
[Boiling point ]

1140.6±65.0 °C(Predicted)
[density ]

1.46
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in ethanol;
[form ]

powder
[pka]

2.63±0.70(Predicted)
[color ]

White
[Water Solubility ]

slightly soluble in water
[InChIKey]

AXNVHPCVMSNXNP-IVKVKCDBSA-N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H332-H302
[Precautionary statements ]

P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in organic solvents such as methanol, ethanol, DMSO, etc., derived from the extract of horse chestnut fruit, the seeds of Aesculus chinesis Bge. of the Aesculus family.
[Uses]

Escin IA (Standard) is the analytical standard of Escin IA. This product is intended for research and analytical applications. Escin IA is a triterpene saponin isolated from Aesculus hippocastanum, which inhibits HIV-1 protease with IC50 values of 35 μM. Escin IA has anti-TNBC metastasis activity, and its action mechanisms involved inhibition of epithelial-mesenchymal transition process by down-regulating LOXL2 expression.
Spectrum DetailBack Directory
[Spectrum Detail]

AESCIN IA(SH)(123748-68-5)1HNMR
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