Cas no 219944-46-4 (Isoescin Ib)
Isoescin Ib Chemical and Physical Properties
Names and Identifiers
-
- Isoescin IB
- (3β,16α,21β,22α)-28-(acetyloxy)-16,22,24-trihyd
- (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
- ,22R)-28-(acetyloxy)-16,- ...
- ,22R)-28-(acetyloxy)-16,- 22,23-trihydroxy-21-[[(2Z)-2-methyl-1-oxo- 2-butenyl]oxy]olean-12-en-3-yl O-â
- 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)-
- -Dglucopyranosyl-( 1f4)]-
- -D-glucopyranosyl-(1f2)
- Escin IVb
- (3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2Z)-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
- 63505RAS3F
- isoescine Ib
- Aescin D
- 9070AF
- Isoescin ib (constituent of horse chestnut) [DSC]
- MS-31997
- MFCD12031630
- CHEMBL509354
- AKOS040760472
- 1ST170458
- 219944-46-4
- beta-D-Glucopyranosiduronic acid, (3beta,4beta,16alpha,21beta,22alpha)-28-(acetyloxy)-16,22,23-trihydroxy-21-(((2Z)-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))-
- UNII-63505RAS3F
- Q27263561
- .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.BETA.,16.ALPHA.,21.BETA.,22.ALPHA.)-28-(ACETYLOXY)-16,22,23-TRIHYDROXY-21-(((2Z)-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))-
- HY-N0557
- Isoescin ib (constituent of horse chestnut)
- 2-Butenoic acid, 2-methyl-, (3.beta.,4.beta.,16.alpha.,21.beta.,22.alpha.)-28-(acetyloxy)-3-[[O-.beta.-D-glucopyranosyl-(1->2)-O-[.beta.-D-glucopyranosyl-(1->4)]-.beta.-D-glucopyranuronosyl]oxy]-16,22,23-trihydroxyolean-12-en-21-yl ester, (2Z)-
- CS-0009084
- Isoescin Ib
-
- MDL： MFCD12031630
- Inchi： 1S/C55H86O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)60)75-49-41(77-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(78-49)45(69)70)76-47-37(65)35(63)33(61)27(19-56)73-47/h10-11,26-44,47-49,56-58,60-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
- InChI Key： YOSIWGSGLDDTHJ-OXPBSUTMSA-N
- SMILES： O[C@@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@@H]([C@](C)(CO)[C@@H]4CC[C@]32C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)[C@@H]2CC(C)(C)[C@H]([C@@H]([C@@]21COC(C)=O)O)OC(/C(=C\C)/C)=O
Computed Properties
- Exact Mass: 1130.55090361 g/mol
- Monoisotopic Mass: 1130.55090361 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 24
- Heavy Atom Count: 79
- Rotatable Bond Count: 16
- Complexity: 2300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 27
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 388
- Molecular Weight: 1131.3
- XLogP3: 0.1
Experimental Properties
- Color/Form: Powder
- Density: 1.46
Isoescin Ib Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | PHL83863-10MG |
Isoescin Ib |
219944-46-4 | 10mg |
￥8409.04 | 2025-01-16 | ||
| Chengdu Biopurify Phytochemicals Ltd | BP0780-10mg |
Isoescin IB |
219944-46-4 | 98% | 10mg |
$180 | 2023-09-20 | |
| Chengdu Biopurify Phytochemicals Ltd | BP0780-5mg |
Isoescin IB |
219944-46-4 | 98% | 5mg |
$96 | 2023-09-20 | |
| Chengdu Biopurify Phytochemicals Ltd | BP0780-20mg |
Isoescin IB |
219944-46-4 | 98% | 20mg |
$290 | 2023-09-20 | |
| ChemScence | CS-0009084-5mg |
Isoescin IB |
219944-46-4 | ≥98.0% | 5mg |
$343.0 | 2022-04-27 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | I60600-10mg |
Isoescin IB |
219944-46-4 | ,HPLC≥95% | 10mg |
￥2358.0 | 2023-09-07 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN1777-10 mg |
Isoescin IB |
219944-46-4 | 10mg |
￥2814.00 | 2022-04-26 | ||
| MedChemExpress | HY-N0557-5mg |
Isoescin IB |
219944-46-4 | 95.23% | 5mg |
￥1650 | 2024-07-21 | |
| ChemFaces | CFN90933-10mg |
Isoescin IB |
219944-46-4 | >=98% | 10mg |
$268 | 2023-09-19 | |
| Chengdu Biopurify Phytochemicals Ltd | BP0780-10mg |
Isoescin IB |
219944-46-4 | 98% | 10mg |
$180 | 2023-09-19 |
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Isoescin Ib Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
Additional information on Isoescin Ib
Comprehensive Analysis of Isoescin Ib (CAS No. 219944-46-4): Properties, Applications, and Research Insights
Isoescin Ib (CAS No. 219944-46-4) is a bioactive triterpenoid saponin derived from the seeds of the horse chestnut tree (Aesculus hippocastanum). This compound has garnered significant attention in recent years due to its potential therapeutic applications, particularly in the fields of anti-inflammatory and vascular health research. As a key component of escin, Isoescin Ib exhibits unique pharmacological properties that differentiate it from other saponins, making it a subject of intense scientific scrutiny.
The growing interest in natural compounds and plant-derived therapeutics has positioned Isoescin Ib as a promising candidate for addressing modern health concerns. With increasing searches for natural anti-inflammatory alternatives and circulatory system support, this compound aligns perfectly with current wellness trends. Researchers are particularly interested in its potential effects on chronic venous insufficiency, edema reduction, and microcirculation improvement – topics that frequently appear in medical literature and health forums.
From a chemical perspective, Isoescin Ib (CAS No. 219944-46-4) belongs to the family of triterpene glycosides, characterized by their amphiphilic nature and surface-active properties. The compound's molecular structure consists of a hydrophobic aglycone (protoprimulagenin A) and hydrophilic sugar moieties, which contribute to its biological activity. This structural configuration enables Isoescin Ib to interact with cell membranes and various molecular targets, explaining its diverse pharmacological effects.
Recent studies have focused on the mechanism of action of Isoescin Ib, particularly its ability to modulate inflammatory mediators such as prostaglandins and cytokines. The compound has shown potential in inhibiting NF-κB activation, a key pathway in inflammatory responses. These findings have sparked interest in its application for conditions like post-operative swelling and sports injuries, addressing common queries about natural recovery aids.
The pharmaceutical industry has shown growing interest in Isoescin Ib (CAS No. 219944-46-4) for developing venotonic drugs and topical formulations. Its ability to enhance vascular tone and reduce capillary permeability makes it valuable for products targeting leg heaviness and varicose vein discomfort – symptoms frequently searched by individuals seeking non-invasive solutions. Moreover, the compound's antioxidant properties contribute to its protective effects on vascular endothelium, an area of increasing research focus.
Quality control and standardization of Isoescin Ib preparations remain crucial topics in phytopharmaceutical development. Advanced analytical techniques such as HPLC-MS and NMR spectroscopy are employed to ensure the purity and consistency of this active ingredient. These aspects are particularly important given the rising consumer demand for standardized herbal extracts and evidence-based phytotherapy options in the supplement market.
Safety profile studies indicate that Isoescin Ib exhibits good tolerability when used at appropriate doses. However, as with many bioactive compounds, researchers emphasize the importance of dose optimization and formulation development to maximize therapeutic benefits while minimizing potential side effects. These considerations address common consumer concerns about herbal supplement safety and drug-herb interactions.
Future research directions for Isoescin Ib (CAS No. 219944-46-4) include exploring its potential in cosmeceutical applications, particularly for anti-aging formulations and skin barrier enhancement. Preliminary studies suggest its benefits for skin elasticity and collagen protection, aligning with the booming market for natural skincare ingredients. Additionally, investigations into its possible neuroprotective effects and metabolic benefits are opening new avenues for research.
From an industry perspective, the extraction and purification of Isoescin Ib present interesting challenges and opportunities. Sustainable sourcing of horse chestnut seeds and optimization of extraction processes are critical for meeting the growing demand while maintaining ecological balance – a concern increasingly voiced by environmentally conscious consumers searching for ethically sourced ingredients.
In conclusion, Isoescin Ib (CAS No. 219944-46-4) represents a fascinating example of nature-derived molecules with significant therapeutic potential. Its multifaceted biological activities, combined with increasing consumer interest in plant-based medicine and integrative healthcare approaches, position this compound as a valuable subject for ongoing research and product development across pharmaceutical, nutraceutical, and cosmeceutical industries.
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