Isoescin IA structure
|
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 | N/A | |
| MSDS | N/A | Flash Point | 314.2±27.8 °C | |
Use of Isoescin IAIsoescin IA is a triterpenoid saponin isolated from the seeds of Aesculus chinensis. Isoescin IA has anti-HIV-1 protease activity[1]. |
| 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 |
| 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 | |
| References |
| 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 |
| 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 |