Introduction：Basic information about CAS 219944-46-4|Isoescin IB, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isoescin IB |
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| CAS Number | 219944-46-4 | Molecular Weight | 1131.257 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 1148.1±65.0 °C at 760 mmHg |
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| Molecular Formula | C55H86O24 | Melting Point | / |
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| MSDS | / | Flash Point | 314.2±27.8 °C |
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Names
| Name | (3β,16α,21β,22α)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid |
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| Synonym | More Synonyms |
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Isoescin IB BiologicalActivity
| Description | Isoescin IB, isolated from horse chestnut tree seeds, is an isomer of Escin IB. Isoescin IB and Escin IB are the chief active ingredients in escin[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
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| In Vitro | β-Escin (mainly consisting of escin Ia and escin Ib) is the major active ingredient in horse chestnut seeds extracts. β-escin can inhibit proliferation and/or induce apoptosis in various types of cancer cells including A549 cell, HT-29 cell, HCC cell, OVCAR3 cell and H-Ras 5RP7 cell. β-escin may be useful as a chemopreventive agent, especially for tumors associated with an inflammatory response[1]. As the minor component of escin, α-escin (mainly consisting of isoescin Ia and isoescin Ib) exhibits lower bioactivity[1]. |
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| References | [1]. Wu XJ, et al. Comparative pharmacokinetics and the bioavailability of escin Ib and isoescin Ib following the administration of escin, pure escin Ib and isoescin Ib in rats.J Ethnopharmacol. 2014 Feb 3;151(2):839-45. |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 1148.1±65.0 °C at 760 mmHg |
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| Molecular Formula | C55H86O24 |
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| Molecular Weight | 1131.257 |
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| Flash Point | 314.2±27.8 °C |
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| Exact Mass | 1130.550903 |
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| LogP | 2.17 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.628 |
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| InChIKey | YOSIWGSGLDDTHJ-OXPBSUTMSA-N |
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| 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 |
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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, (2Z)- |
| (3β,16α,21β,22α)-28-Acetoxy-16,22,24-trihydroxy-21-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid |
| 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, (2Z)- |
| Aescin D |
| Escin IVb |
| Isoescin Ib |
